N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide

C30H27N5O5 — CID 174473648

IUPACN-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2onc(-c3c(C)nn(-c4ccccc4)c3C)c2-c2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C30H27N5O5/c1-17-25(18(2)35(33-17)20-10-6-5-7-11-20)27-26(21-12-8-9-13-22(21)28(31)36)30(40-34-27)32-29(37)19-14-15-23(38-3)24(16-19)39-4/h5-16H,1-4H3,(H2,31,36)(H,32,37)
InChIKeyGNOWHYSPQGWJKF-UHFFFAOYSA-N
MW537.58 g/mol
LogP5.18
Rot. Bonds8

About N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide

N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide (PubChem CID 174473648) has the molecular formula C30H27N5O5 and a molecular weight of 537.58 g/mol. Its IUPAC name is N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide
PubChem CID174473648
Molecular FormulaC30H27N5O5
Molecular Weight537.58 g/mol
Exact Mass537.20
IUPAC NameN-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2onc(-c3c(C)nn(-c4ccccc4)c3C)c2-c2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C30H27N5O5/c1-17-25(18(2)35(33-17)20-10-6-5-7-11-20)27-26(21-12-8-9-13-22(21)28(31)36)30(40-34-27)32-29(37)19-14-15-23(38-3)24(16-19)39-4/h5-16H,1-4H3,(H2,31,36)(H,32,37)
InChIKeyGNOWHYSPQGWJKF-UHFFFAOYSA-N
XLogP5.18
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[(3-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide
CID 174473837
N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 174473667
2-[5-[(2-chlorobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzamide
CID 175240603
2-[5-[(3-bromobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzoic acid
CID 175242383
2-[5-(cyclopropanecarbonylamino)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzoic acid
CID 174473755
N-[4-(2-carbamoylphenyl)-3-pyridin-4-yl-1,2-oxazol-5-yl]-3,4,5-trimethoxybenzamide
CID 175242349
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
N-[4-(2-carbamoylphenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-2-methylbenzamide
CID 174473651
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(2-ethylbutanoylamino)-1,2-oxazole-4-carboxylic acid
CID 142774020
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide (CID 174473648) is N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2onc(-c3c(C)nn(-c4ccccc4)c3C)c2-c2ccccc2C(N)=O)cc1OC.
What is the InChIKey of N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide?
The InChIKey is GNOWHYSPQGWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O5/c1-17-25(18(2)35(33-17)20-10-6-5-7-11-20)27-26(21-12-8-9-13-22(21)28(31)36)30(40-34-27)32-29(37)19-14-15-23(38-3)24(16-19)39-4/h5-16H,1-4H3,(H2,31,36)(H,32,37).
What are the key properties of N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide?
N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide has a molecular weight of 537.58 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 174473648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).