N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide

C15H19N5O2 — CID 91922585

IUPACN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C15H19N5O2/c1-9-13(22-8-16-9)15(21)17-11-4-5-12-18-19-14(10-2-3-10)20(12)7-6-11/h8,10-11H,2-7H2,1H3,(H,17,21)
InChIKeyLWDHVIDXZQHUNE-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds3

About N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide

N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 91922585) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID91922585
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCc2nnc(C3CC3)n2CC1
InChIInChI=1S/C15H19N5O2/c1-9-13(22-8-16-9)15(21)17-11-4-5-12-18-19-14(10-2-3-10)20(12)7-6-11/h8,10-11H,2-7H2,1H3,(H,17,21)
InChIKeyLWDHVIDXZQHUNE-UHFFFAOYSA-N
XLogP1.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide (CID 91922585) is N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCc2nnc(C3CC3)n2CC1.
What is the InChIKey of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is LWDHVIDXZQHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-13(22-8-16-9)15(21)17-11-4-5-12-18-19-14(10-2-3-10)20(12)7-6-11/h8,10-11H,2-7H2,1H3,(H,17,21).
What are the key properties of N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91922585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).