N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide

C16H22N2O2 — CID 42816060

IUPACN,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
SMILESCc1ccccc1C1=NOC(CN(C)C(=O)C(C)C)C1
InChIInChI=1S/C16H22N2O2/c1-11(2)16(19)18(4)10-13-9-15(17-20-13)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3
InChIKeyKDXJOVAFFMBSRD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds4

About N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide

N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide (PubChem CID 42816060) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
PubChem CID42816060
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
SMILESCc1ccccc1C1=NOC(CN(C)C(=O)C(C)C)C1
InChIInChI=1S/C16H22N2O2/c1-11(2)16(19)18(4)10-13-9-15(17-20-13)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3
InChIKeyKDXJOVAFFMBSRD-UHFFFAOYSA-N
XLogP2.60
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
CID 5077825
N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 42816003
N-benzyl-N-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
CID 46137735
N-methyl-3-(2-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83289413
1-benzyl-3-ethyl-1-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816149
3-tert-butyl-1-[(2-fluorophenyl)methyl]-1-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42816151
2-[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456450
(2S)-1-[benzyl-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 98629238
N-[(2-chlorophenyl)methyl]-N-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 93308175
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
CID 90635601
N-[(2-fluorophenyl)methyl]-2-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 42789915
N-[(3-methoxyphenyl)methyl]-N-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 93143642

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide (CID 42816060) is N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide is Cc1ccccc1C1=NOC(CN(C)C(=O)C(C)C)C1.
What is the InChIKey of N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The InChIKey is KDXJOVAFFMBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)16(19)18(4)10-13-9-15(17-20-13)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide is sourced from PubChem (CID 42816060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).