N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide

C19H20N6O2 — CID 86678461

IUPACN-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1C[C@H](N(C)C(=O)c2cocn2)C[C@@H]1c1cnc2cnc3[nH]ccc3n12
InChIInChI=1S/C19H20N6O2/c1-11-5-12(24(2)19(26)14-9-27-10-23-14)6-13(11)16-7-21-17-8-22-18-15(25(16)17)3-4-20-18/h3-4,7-13,20H,5-6H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyIQKMDTMDEIIWAQ-AGIUHOORSA-N
MW364.41 g/mol
LogP2.85
Rot. Bonds3

About N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide

N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide (PubChem CID 86678461) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide
PubChem CID86678461
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1C[C@H](N(C)C(=O)c2cocn2)C[C@@H]1c1cnc2cnc3[nH]ccc3n12
InChIInChI=1S/C19H20N6O2/c1-11-5-12(24(2)19(26)14-9-27-10-23-14)6-13(11)16-7-21-17-8-22-18-15(25(16)17)3-4-20-18/h3-4,7-13,20H,5-6H2,1-2H3/t11-,12+,13+/m1/s1
InChIKeyIQKMDTMDEIIWAQ-AGIUHOORSA-N
XLogP2.85
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide (CID 86678461) is N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide is C[C@@H]1C[C@H](N(C)C(=O)c2cocn2)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.
What is the InChIKey of N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IQKMDTMDEIIWAQ-AGIUHOORSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-5-12(24(2)19(26)14-9-27-10-23-14)6-13(11)16-7-21-17-8-22-18-15(25(16)17)3-4-20-18/h3-4,7-13,20H,5-6H2,1-2H3/t11-,12+,13+/m1/s1.
What are the key properties of N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide?
N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,3R,4S)-3-methyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86678461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).