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

C19H28N4O3 — CID 155504143

IUPAC2-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
SMILESCc1ncc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)[nH]1
InChIInChI=1S/C19H28N4O3/c1-12-20-9-16(22-12)18(24)21-8-14-15-10-23(13-3-6-25-7-4-13)11-19(15)5-2-17(14)26-19/h9,13-15,17H,2-8,10-11H2,1H3,(H,20,22)(H,21,24)/t14-,15+,17+,19+/m0/s1
InChIKeyDJLXVVQQEQVRDI-BUIAKZPTSA-N
MW360.46 g/mol
LogP1.11
Rot. Bonds4

About 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

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 (PubChem CID 155504143) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID155504143
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-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
SMILESCc1ncc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)[nH]1
InChIInChI=1S/C19H28N4O3/c1-12-20-9-16(22-12)18(24)21-8-14-15-10-23(13-3-6-25-7-4-13)11-19(15)5-2-17(14)26-19/h9,13-15,17H,2-8,10-11H2,1H3,(H,20,22)(H,21,24)/t14-,15+,17+,19+/m0/s1
InChIKeyDJLXVVQQEQVRDI-BUIAKZPTSA-N
XLogP1.11
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(C(=O)NC[C@H]2[C@H]3CN(C4CCOCC4)C[C@]34CC[C@H]2O4)[nH]1.
What is the InChIKey of 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?
The InChIKey is DJLXVVQQEQVRDI-BUIAKZPTSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12-20-9-16(22-12)18(24)21-8-14-15-10-23(13-3-6-25-7-4-13)11-19(15)5-2-17(14)26-19/h9,13-15,17H,2-8,10-11H2,1H3,(H,20,22)(H,21,24)/t14-,15+,17+,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 360.46 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155504143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).