N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H21N3O3 — CID 51103232

IUPACN-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O3/c1-11(2)12(3)19-16(21)10-18-17(22)14-9-15(23-20-14)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeySQOZPKPQLWIEOV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51103232) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51103232
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O3/c1-11(2)12(3)19-16(21)10-18-17(22)14-9-15(23-20-14)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeySQOZPKPQLWIEOV-UHFFFAOYSA-N
XLogP2.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[2-oxo-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52518637
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99783279
N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103315
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 75617038
5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
CID 24669082
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 51103232) is N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CC(C)C(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SQOZPKPQLWIEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)12(3)19-16(21)10-18-17(22)14-9-15(23-20-14)13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51103232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).