(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide

C15H18N2O3 — CID 97465838

IUPAC(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
SMILESC=CCNC(=O)[C@@]1(C)CC(c2ccccc2OC)=NO1
InChIInChI=1S/C15H18N2O3/c1-4-9-16-14(18)15(2)10-12(17-20-15)11-7-5-6-8-13(11)19-3/h4-8H,1,9-10H2,2-3H3,(H,16,18)/t15-/m1/s1
InChIKeyKPJKVNKLRCWEDO-OAHLLOKOSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds5

About (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide

(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465838) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465838
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
SMILESC=CCNC(=O)[C@@]1(C)CC(c2ccccc2OC)=NO1
InChIInChI=1S/C15H18N2O3/c1-4-9-16-14(18)15(2)10-12(17-20-15)11-7-5-6-8-13(11)19-3/h4-8H,1,9-10H2,2-3H3,(H,16,18)/t15-/m1/s1
InChIKeyKPJKVNKLRCWEDO-OAHLLOKOSA-N
XLogP1.88
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91954537
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804
(5R)-N-cyclopropyl-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465820
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159
N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946145
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
3-(2-methoxyphenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 46977682
3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 91946158
(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465787

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide (CID 97465838) is (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide is C=CCNC(=O)[C@@]1(C)CC(c2ccccc2OC)=NO1.
What is the InChIKey of (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is KPJKVNKLRCWEDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-9-16-14(18)15(2)10-12(17-20-15)11-7-5-6-8-13(11)19-3/h4-8H,1,9-10H2,2-3H3,(H,16,18)/t15-/m1/s1.
What are the key properties of (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).