N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide

C16H18N2O3 — CID 86979897

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1cc(CN(C)C(=O)CCC(=O)c2ccccc2)no1
InChIInChI=1S/C16H18N2O3/c1-12-10-14(17-21-12)11-18(2)16(20)9-8-15(19)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
InChIKeyKLNCENKSQYVPNI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide (PubChem CID 86979897) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
PubChem CID86979897
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1cc(CN(C)C(=O)CCC(=O)c2ccccc2)no1
InChIInChI=1S/C16H18N2O3/c1-12-10-14(17-21-12)11-18(2)16(20)9-8-15(19)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
InChIKeyKLNCENKSQYVPNI-UHFFFAOYSA-N
XLogP2.60
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
CID 119729314
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide
CID 86985859
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 38304184
2-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714525
2-(4-benzylmorpholin-2-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 91842855
2-ethoxy-N-[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-4-oxobutyl]benzamide
CID 38304030
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide (CID 86979897) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide is Cc1cc(CN(C)C(=O)CCC(=O)c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is KLNCENKSQYVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-10-14(17-21-12)11-18(2)16(20)9-8-15(19)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 286.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 86979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).