N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide

C20H21N5O3 — CID 166398917

IUPACN-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2)oc1C(=O)NC1CCC1NC(=O)c1ccccc1
InChIInChI=1S/C20H21N5O3/c1-12-17(28-20(22-12)14-10-21-25(2)11-14)19(27)24-16-9-8-15(16)23-18(26)13-6-4-3-5-7-13/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDSNLDWIJOVSMCC-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.07
Rot. Bonds5

About N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide

N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide (PubChem CID 166398917) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
PubChem CID166398917
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2)oc1C(=O)NC1CCC1NC(=O)c1ccccc1
InChIInChI=1S/C20H21N5O3/c1-12-17(28-20(22-12)14-10-21-25(2)11-14)19(27)24-16-9-8-15(16)23-18(26)13-6-4-3-5-7-13/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDSNLDWIJOVSMCC-UHFFFAOYSA-N
XLogP2.07
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-4-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953946
4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166221947
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
CID 166409923
4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 120641655
5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 139011651
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 126781803
2-(1-methylpyrazol-4-yl)-3,1-benzoxazin-4-one
CID 57362272
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122162703
4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119514825

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide (CID 166398917) is N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide is Cc1nc(-c2cnn(C)c2)oc1C(=O)NC1CCC1NC(=O)c1ccccc1.
What is the InChIKey of N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is DSNLDWIJOVSMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-17(28-20(22-12)14-10-21-25(2)11-14)19(27)24-16-9-8-15(16)23-18(26)13-6-4-3-5-7-13/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide?
N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidocyclobutyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166398917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).