N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide

C28H27N5O3 — CID 42601297

IUPACN-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2ccccc2C)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C28H27N5O3/c1-19-8-3-5-11-23(19)25-15-26(28(34)30-17-21-9-4-6-12-27(21)35-2)33(31-25)18-22-14-24(32-36-22)20-10-7-13-29-16-20/h3-13,15-16,22H,14,17-18H2,1-2H3,(H,30,34)
InChIKeyGSHZTPWWNVQRGZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.39
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 42601297) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID42601297
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2ccccc2C)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C28H27N5O3/c1-19-8-3-5-11-23(19)25-15-26(28(34)30-17-21-9-4-6-12-27(21)35-2)33(31-25)18-22-14-24(32-36-22)20-10-7-13-29-16-20/h3-13,15-16,22H,14,17-18H2,1-2H3,(H,30,34)
InChIKeyGSHZTPWWNVQRGZ-UHFFFAOYSA-N
XLogP4.39
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
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1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 44448486
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(2-pyridinylmethyl)-1H-pyrazole-3-carboxamide
CID 44448488
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
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N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73437807
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73438188
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-5-fluoro-6-(2-fluoro-4-methoxyphenyl)picolinamide
CID 86713898
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (CID 42601297) is N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc(-c2ccccc2C)nn1CC1CC(c2cccnc2)=NO1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is GSHZTPWWNVQRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-19-8-3-5-11-23(19)25-15-26(28(34)30-17-21-9-4-6-12-27(21)35-2)33(31-25)18-22-14-24(32-36-22)20-10-7-13-29-16-20/h3-13,15-16,22H,14,17-18H2,1-2H3,(H,30,34).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42601297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).