N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C18H21N3O3 — CID 75387651

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1noc(C)c1C(C)CNC(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c1-11(17-12(2)20-23-13(17)3)10-19-18(22)15-9-16(24-21-15)14-7-5-4-6-8-14/h4-8,11,16H,9-10H2,1-3H3,(H,19,22)
InChIKeySJYYMDSNLGCPIG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 75387651) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID75387651
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCc1noc(C)c1C(C)CNC(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C18H21N3O3/c1-11(17-12(2)20-23-13(17)3)10-19-18(22)15-9-16(24-21-15)14-7-5-4-6-8-14/h4-8,11,16H,9-10H2,1-3H3,(H,19,22)
InChIKeySJYYMDSNLGCPIG-UHFFFAOYSA-N
XLogP3.03
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
CID 94463007
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
CID 97240474
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 55862172
(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95309406
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxan-4-yloxymethyl)benzamide
CID 126768778
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 47904784
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122007597
2-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-oxopropyl]benzoic acid
CID 120552321
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126774947
5-(4-methylphenyl)-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167930152

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 75387651) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is Cc1noc(C)c1C(C)CNC(=O)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is SJYYMDSNLGCPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(17-12(2)20-23-13(17)3)10-19-18(22)15-9-16(24-21-15)14-7-5-4-6-8-14/h4-8,11,16H,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75387651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).