(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N2O3 — CID 40503549

IUPAC(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@H](C(=O)Nc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-3-7-14(8-4-12)19-18(21)17-11-16(20-23-17)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyRYUOLHKJJNDYEA-KRWDZBQOSA-N
MW310.35 g/mol
LogP3.14
Rot. Bonds4

About (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40503549) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40503549
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@H](C(=O)Nc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-3-7-14(8-4-12)19-18(21)17-11-16(20-23-17)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyRYUOLHKJJNDYEA-KRWDZBQOSA-N
XLogP3.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089716
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619745
(5S)-N-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503534
N-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095632
(5S)-N-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503947
N-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491428
3-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133393
3-(4-methoxyphenyl)-N-(1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491496
(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 1096397
3-(2-chloro-6-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158036
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491575

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40503549) is (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NO[C@H](C(=O)Nc3ccc(C)cc3)C2)cc1.
What is the InChIKey of (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RYUOLHKJJNDYEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-3-7-14(8-4-12)19-18(21)17-11-16(20-23-17)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40503549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).