(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide

C18H26N2O2 — CID 162488102

IUPAC(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide
SMILESC[C@@H]1OC([C@@H](CC(N)=O)C(C)(C)C)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-12-15(10-13-8-6-5-7-9-13)20-17(22-12)14(11-16(19)21)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3,(H2,19,21)/t12-,14+,15-/m0/s1
InChIKeyNBDSALZSKGBSML-CFVMTHIKSA-N
MW302.42 g/mol
LogP2.95
Rot. Bonds5

About (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide

(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide (PubChem CID 162488102) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide
PubChem CID162488102
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide
SMILESC[C@@H]1OC([C@@H](CC(N)=O)C(C)(C)C)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-12-15(10-13-8-6-5-7-9-13)20-17(22-12)14(11-16(19)21)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3,(H2,19,21)/t12-,14+,15-/m0/s1
InChIKeyNBDSALZSKGBSML-CFVMTHIKSA-N
XLogP2.95
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide with MolForge

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Related Compounds

4,4-dimethyl-3-phenylpentanamide
CID 82077159
N-[1-[(4S,5S)-4-benzyl-5-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide
CID 139579540
N-[1-[(4S,5S)-4-benzyl-5-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]acetamide
CID 175293948
2-[(4S,5S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]acetic acid
CID 10017392
methyl (4S)-4-benzyl-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 70260974
2-(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)acetic acid
CID 18377518
methyl 2-[[(2S)-2-[[2-[(4S,5R)-4-benzyl-2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 58150469
4-methyl-3-phenylpentanamide
CID 66616845
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
3-methyl-5-phenylpentanamide
CID 66761020
3-[(1S)-1-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-2,6-difluorobenzamide
CID 162488116
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
CID 82084654

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide?
The IUPAC name of (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide (CID 162488102) is (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide?
The canonical SMILES for (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide is C[C@@H]1OC([C@@H](CC(N)=O)C(C)(C)C)=N[C@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide?
The InChIKey is NBDSALZSKGBSML-CFVMTHIKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-15(10-13-8-6-5-7-9-13)20-17(22-12)14(11-16(19)21)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3,(H2,19,21)/t12-,14+,15-/m0/s1.
What are the key properties of (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide?
(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 162488102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).