N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C18H19N7O3 — CID 52913876

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCn1cc(NC(=O)c2coc(-c3ccnc(NCC4CC4)c3)n2)c(C(N)=O)n1
InChIInChI=1S/C18H19N7O3/c1-25-8-12(15(24-25)16(19)26)22-17(27)13-9-28-18(23-13)11-4-5-20-14(6-11)21-7-10-2-3-10/h4-6,8-10H,2-3,7H2,1H3,(H2,19,26)(H,20,21)(H,22,27)
InChIKeyVLXJRLTXFNEDOM-UHFFFAOYSA-N
MW381.40 g/mol
LogP1.64
Rot. Bonds7

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 52913876) has the molecular formula C18H19N7O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID52913876
Molecular FormulaC18H19N7O3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCn1cc(NC(=O)c2coc(-c3ccnc(NCC4CC4)c3)n2)c(C(N)=O)n1
InChIInChI=1S/C18H19N7O3/c1-25-8-12(15(24-25)16(19)26)22-17(27)13-9-28-18(23-13)11-4-5-20-14(6-11)21-7-10-2-3-10/h4-6,8-10H,2-3,7H2,1H3,(H2,19,26)(H,20,21)(H,22,27)
InChIKeyVLXJRLTXFNEDOM-UHFFFAOYSA-N
XLogP1.64
TPSA140.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 52913876) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is Cn1cc(NC(=O)c2coc(-c3ccnc(NCC4CC4)c3)n2)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VLXJRLTXFNEDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3/c1-25-8-12(15(24-25)16(19)26)22-17(27)13-9-28-18(23-13)11-4-5-20-14(6-11)21-7-10-2-3-10/h4-6,8-10H,2-3,7H2,1H3,(H2,19,26)(H,20,21)(H,22,27).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52913876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).