N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H17N3O3 — CID 122157704

IUPACN-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C#N)c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H17N3O3/c1-14-11-18(23-26-14)20(24)22-19(12-21)16-7-9-17(10-8-16)25-13-15-5-3-2-4-6-15/h2-11,19H,13H2,1H3,(H,22,24)
InChIKeyPQYJLVCCMNROGV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.56
Rot. Bonds6

About N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 122157704) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID122157704
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C#N)c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H17N3O3/c1-14-11-18(23-26-14)20(24)22-19(12-21)16-7-9-17(10-8-16)25-13-15-5-3-2-4-6-15/h2-11,19H,13H2,1H3,(H,22,24)
InChIKeyPQYJLVCCMNROGV-UHFFFAOYSA-N
XLogP3.56
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
(2S)-6-amino-2-[[5-(4-phenylmethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]hexanoic acid;hydrochloride
CID 139676222
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
1-(3-methyl-1,2-oxazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59381123

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 122157704) is N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C#N)c2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PQYJLVCCMNROGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-11-18(23-26-14)20(24)22-19(12-21)16-7-9-17(10-8-16)25-13-15-5-3-2-4-6-15/h2-11,19H,13H2,1H3,(H,22,24).
What are the key properties of N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122157704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).