3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

C19H31N3O3 — CID 72860647

IUPAC3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2CCCCCCC2)on1
InChIInChI=1S/C19H31N3O3/c1-15-11-17(25-21-15)12-16-13-24-14-18(16)20-19(23)7-10-22-8-5-3-2-4-6-9-22/h11,16,18H,2-10,12-14H2,1H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyFUTWGAXBPLOSJN-AEFFLSMTSA-N
MW349.48 g/mol
LogP2.31
Rot. Bonds6

About 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (PubChem CID 72860647) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
PubChem CID72860647
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2CCCCCCC2)on1
InChIInChI=1S/C19H31N3O3/c1-15-11-17(25-21-15)12-16-13-24-14-18(16)20-19(23)7-10-22-8-5-3-2-4-6-9-22/h11,16,18H,2-10,12-14H2,1H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyFUTWGAXBPLOSJN-AEFFLSMTSA-N
XLogP2.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72913553
3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72863045
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 72920517
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051
N-cycloheptyl-3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanamide;formic acid
CID 154915713
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 133114989
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 72858551
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 137247143
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
CID 72870120

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (CID 72860647) is 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCN2CCCCCCC2)on1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The InChIKey is FUTWGAXBPLOSJN-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15-11-17(25-21-15)12-16-13-24-14-18(16)20-19(23)7-10-22-8-5-3-2-4-6-9-22/h11,16,18H,2-10,12-14H2,1H3,(H,20,23)/t16-,18+/m1/s1.
What are the key properties of 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is sourced from PubChem (CID 72860647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).