(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H20N2O3 — CID 40638470

IUPAC(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)NCC(C)C)C1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-16-15(18)14-8-12(17-20-14)11-6-4-5-7-13(11)19-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyDCYWDMBDBQRUIM-CQSZACIVSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds5

About (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40638470) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40638470
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@@H](C(=O)NCC(C)C)C1
InChIInChI=1S/C15H20N2O3/c1-10(2)9-16-15(18)14-8-12(17-20-14)11-6-4-5-7-13(11)19-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyDCYWDMBDBQRUIM-CQSZACIVSA-N
XLogP1.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869153
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
(5R)-3-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92734588
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095330
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
(5S)-N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638409
N-[(2-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16745462
3-(2-methoxyphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493827

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40638470) is (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NO[C@@H](C(=O)NCC(C)C)C1.
What is the InChIKey of (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DCYWDMBDBQRUIM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)9-16-15(18)14-8-12(17-20-14)11-6-4-5-7-13(11)19-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.96, 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)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40638470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).