N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide

C19H24ClN5O3 — CID 169419841

IUPACN-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
SMILESO=C(CCn1cnnc1)NC[C@H]1[C@H]2CN(Cc3ccc(Cl)o3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H24ClN5O3/c20-17-2-1-13(27-17)8-25-9-15-14(16-3-5-19(15,10-25)28-16)7-21-18(26)4-6-24-11-22-23-12-24/h1-2,11-12,14-16H,3-10H2,(H,21,26)/t14-,15+,16+,19+/m0/s1
InChIKeyGYUHIHGMPRMANX-WFXMFSGNSA-N
MW405.89 g/mol
LogP1.71
Rot. Bonds7

About N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide

N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide (PubChem CID 169419841) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
PubChem CID169419841
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide
SMILESO=C(CCn1cnnc1)NC[C@H]1[C@H]2CN(Cc3ccc(Cl)o3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C19H24ClN5O3/c20-17-2-1-13(27-17)8-25-9-15-14(16-3-5-19(15,10-25)28-16)7-21-18(26)4-6-24-11-22-23-12-24/h1-2,11-12,14-16H,3-10H2,(H,21,26)/t14-,15+,16+,19+/m0/s1
InChIKeyGYUHIHGMPRMANX-WFXMFSGNSA-N
XLogP1.71
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155506065
N-[[(1S,5S,6R,7R)-3-[(4-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
CID 154817901
N-[[(1S,5S,6R,7R)-3-(2-hydroxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-phenylbutanamide
CID 154819241
N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
CID 169415958
2-[[(1S,5S,6R,7R)-6-[(butanoylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]benzoic acid
CID 155508463
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
CID 155495134
2-[(1S,5S,6R,7R)-6-[[3-(4-methylphenyl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 155497788
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-propylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 155508389
formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide
CID 155939571
N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide;formic acid
CID 155939415
N-[[(1S,5S,6R,7R)-3-[(4-chlorophenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 155494110
N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]hept-5-enamide
CID 171150724

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide (CID 169419841) is N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide is O=C(CCn1cnnc1)NC[C@H]1[C@H]2CN(Cc3ccc(Cl)o3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is GYUHIHGMPRMANX-WFXMFSGNSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c20-17-2-1-13(27-17)8-25-9-15-14(16-3-5-19(15,10-25)28-16)7-21-18(26)4-6-24-11-22-23-12-24/h1-2,11-12,14-16H,3-10H2,(H,21,26)/t14-,15+,16+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide?
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 405.89 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 169419841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).