3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide

C19H22N2O3 — CID 95318865

IUPAC3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESC#CCOc1cccc([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-6-10-23-16-9-7-8-15(11-16)13(4)20-19(22)17-14(5)21-24-18(17)12(2)3/h1,7-9,11-13H,10H2,2-5H3,(H,20,22)/t13-/m1/s1
InChIKeyRUMGADZXYZOBLQ-CYBMUJFWSA-N
MW326.40 g/mol
LogP3.61
Rot. Bonds6

About 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 95318865) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID95318865
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESC#CCOc1cccc([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-6-10-23-16-9-7-8-15(11-16)13(4)20-19(22)17-14(5)21-24-18(17)12(2)3/h1,7-9,11-13H,10H2,2-5H3,(H,20,22)/t13-/m1/s1
InChIKeyRUMGADZXYZOBLQ-CYBMUJFWSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[1-(3-prop-2-ynoxyphenyl)ethyl]acetamide
CID 144905166
N-[(1S)-1-(4-cyanophenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 33354725
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 18195335
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
N-[1-(3-bromophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43059207
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55800853
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 51306880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 95318865) is 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide is C#CCOc1cccc([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RUMGADZXYZOBLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-6-10-23-16-9-7-8-15(11-16)13(4)20-19(22)17-14(5)21-24-18(17)12(2)3/h1,7-9,11-13H,10H2,2-5H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-[(1R)-1-(3-prop-2-ynoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95318865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).