5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C16H21N5O3 — CID 155871461

IUPAC5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CC(NC(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C16H21N5O3/c1-9(2)17-16(23)14-11-8-10(4-5-13(11)24-20-14)18-15(22)12-6-7-21(3)19-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyDJQAMWZQGHPYHP-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.83
Rot. Bonds4

About 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 155871461) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID155871461
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CC(NC(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C16H21N5O3/c1-9(2)17-16(23)14-11-8-10(4-5-13(11)24-20-14)18-15(22)12-6-7-21(3)19-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyDJQAMWZQGHPYHP-UHFFFAOYSA-N
XLogP0.83
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871304
5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155872314
5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871324
N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871769
formic acid;5-(2-phenylethylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155878205
5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155876703
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
2-fluoro-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871322
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
CID 169248595
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871127

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 155871461) is 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)NC(=O)c1noc2c1CC(NC(=O)c1ccn(C)n1)CC2.
What is the InChIKey of 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is DJQAMWZQGHPYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9(2)17-16(23)14-11-8-10(4-5-13(11)24-20-14)18-15(22)12-6-7-21(3)19-12/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,23)(H,18,22).
What are the key properties of 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155871461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).