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

C17H24N2O2 — CID 24715237

IUPACN,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide
SMILESCc1ccc(C2=NOC(CN(C)C(=O)CC(C)C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12(2)9-17(20)19(4)11-15-10-16(18-21-15)14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3
InChIKeyOVPGJXQXAAHWDX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.99
Rot. Bonds5

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

N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide (PubChem CID 24715237) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide
PubChem CID24715237
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide
SMILESCc1ccc(C2=NOC(CN(C)C(=O)CC(C)C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12(2)9-17(20)19(4)11-15-10-16(18-21-15)14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3
InChIKeyOVPGJXQXAAHWDX-UHFFFAOYSA-N
XLogP2.99
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
(4-Ethylpiperazino)[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
CID 5308889
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperidine
CID 3241252
N-butyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681849
N-propyl-3-[4-(trifluoromethyl)phenyl]-2-isoxazoline-5-carboxamide
CID 16745467
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-methylpiperidin-1-yl)methanone
CID 3235728
N-(3-methylbutyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681868
Azepan-1-yl[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095763
N,N-diethyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095773
N,N-diethyl-3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
CID 17095818
methyl 4-[4-[5-(acetamidomethyl)-4,5-dihydroisoxazol-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 476915

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide (CID 24715237) is N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide is Cc1ccc(C2=NOC(CN(C)C(=O)CC(C)C)C2)cc1.
What is the InChIKey of N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide?
The InChIKey is OVPGJXQXAAHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)9-17(20)19(4)11-15-10-16(18-21-15)14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide?
N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]butanamide is sourced from PubChem (CID 24715237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).