2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide

C20H21N3O2 — CID 124607211

IUPAC2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)o1
InChIInChI=1S/C20H21N3O2/c1-13(16-7-5-4-6-8-16)22-17-9-11-18(12-10-17)23-20(24)19-14(2)21-15(3)25-19/h4-13,22H,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyQPZNCSHATZUWCW-CYBMUJFWSA-N
MW335.41 g/mol
LogP4.72
Rot. Bonds5

About 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 124607211) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
PubChem CID124607211
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)o1
InChIInChI=1S/C20H21N3O2/c1-13(16-7-5-4-6-8-16)22-17-9-11-18(12-10-17)23-20(24)19-14(2)21-15(3)25-19/h4-13,22H,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyQPZNCSHATZUWCW-CYBMUJFWSA-N
XLogP4.72
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-[4-(cyanomethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026221
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide
CID 99792709
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide (CID 124607211) is 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)o1.
What is the InChIKey of 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is QPZNCSHATZUWCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(16-7-5-4-6-8-16)22-17-9-11-18(12-10-17)23-20(24)19-14(2)21-15(3)25-19/h4-13,22H,1-3H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 124607211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).