1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide

C19H28N4O3 — CID 155494516

IUPAC1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)c1
InChIInChI=1S/C19H28N4O3/c1-22-10-16(21-12-22)18(24)20-8-14-15-9-23(13-3-6-25-7-4-13)11-19(15)5-2-17(14)26-19/h10,12-15,17H,2-9,11H2,1H3,(H,20,24)/t14-,15+,17+,19+/m0/s1
InChIKeyWMZCYKUYMPEYTM-BUIAKZPTSA-N
MW360.46 g/mol
LogP0.81
Rot. Bonds4

About 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide

1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide (PubChem CID 155494516) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
PubChem CID155494516
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)c1
InChIInChI=1S/C19H28N4O3/c1-22-10-16(21-12-22)18(24)20-8-14-15-9-23(13-3-6-25-7-4-13)11-19(15)5-2-17(14)26-19/h10,12-15,17H,2-9,11H2,1H3,(H,20,24)/t14-,15+,17+,19+/m0/s1
InChIKeyWMZCYKUYMPEYTM-BUIAKZPTSA-N
XLogP0.81
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-5-carboxamide
CID 155504143
1-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
CID 155509544
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide
CID 155495486
2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155504936
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide
CID 155506452
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide
CID 155509949
N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 155498761
5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155493873
4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 155496525
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide
CID 155499115
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155505641
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide (CID 155494516) is 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide is Cn1cnc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)c1.
What is the InChIKey of 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide?
The InChIKey is WMZCYKUYMPEYTM-BUIAKZPTSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-22-10-16(21-12-22)18(24)20-8-14-15-9-23(13-3-6-25-7-4-13)11-19(15)5-2-17(14)26-19/h10,12-15,17H,2-9,11H2,1H3,(H,20,24)/t14-,15+,17+,19+/m0/s1.
What are the key properties of 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide?
1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 155494516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).