(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H23N5O3 — CID 51388341

IUPAC(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2noc3c2C[C@H](C)CC3)cnn1C
InChIInChI=1S/C17H23N5O3/c1-4-7-18-17(24)15-12(9-19-22(15)3)20-16(23)14-11-8-10(2)5-6-13(11)25-21-14/h9-10H,4-8H2,1-3H3,(H,18,24)(H,20,23)/t10-/m1/s1
InChIKeyVCFRXNSWLBGAEW-SNVBAGLBSA-N
MW345.40 g/mol
LogP1.92
Rot. Bonds5

About (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 51388341) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID51388341
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2noc3c2C[C@H](C)CC3)cnn1C
InChIInChI=1S/C17H23N5O3/c1-4-7-18-17(24)15-12(9-19-22(15)3)20-16(23)14-11-8-10(2)5-6-13(11)25-21-14/h9-10H,4-8H2,1-3H3,(H,18,24)(H,20,23)/t10-/m1/s1
InChIKeyVCFRXNSWLBGAEW-SNVBAGLBSA-N
XLogP1.92
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51388342
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
(5S)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660400
(5S)-5-methyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51391918
(5R)-5-methyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056649
5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254461
methyl (E)-4-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]but-2-enoate
CID 146099739
5-methyl-N-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254466
(5S)-N-(4-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660402
N-(2-hydroxy-5-methylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 22427619
N-[4-(diethylamino)phenyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19581940
(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 28886755

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 51388341) is (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CCCNC(=O)c1c(NC(=O)c2noc3c2C[C@H](C)CC3)cnn1C.
What is the InChIKey of (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is VCFRXNSWLBGAEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-7-18-17(24)15-12(9-19-22(15)3)20-16(23)14-11-8-10(2)5-6-13(11)25-21-14/h9-10H,4-8H2,1-3H3,(H,18,24)(H,20,23)/t10-/m1/s1.
What are the key properties of (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 51388341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).