(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide

C19H21N3O3 — CID 95148293

IUPAC(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCc2cc(-c3ccco3)on2)N(C)C)c1
InChIInChI=1S/C19H21N3O3/c1-13-6-4-7-14(10-13)18(22(2)3)19(23)20-12-15-11-17(25-21-15)16-8-5-9-24-16/h4-11,18H,12H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyVLVHLNLEGXYSQQ-SFHVURJKSA-N
MW339.40 g/mol
LogP3.16
Rot. Bonds6

About (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide

(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 95148293) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID95148293
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCc2cc(-c3ccco3)on2)N(C)C)c1
InChIInChI=1S/C19H21N3O3/c1-13-6-4-7-14(10-13)18(22(2)3)19(23)20-12-15-11-17(25-21-15)16-8-5-9-24-16/h4-11,18H,12H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyVLVHLNLEGXYSQQ-SFHVURJKSA-N
XLogP3.16
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50967911
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
CID 30607978
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 97197462
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide (CID 95148293) is (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc([C@@H](C(=O)NCc2cc(-c3ccco3)on2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is VLVHLNLEGXYSQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-6-4-7-14(10-13)18(22(2)3)19(23)20-12-15-11-17(25-21-15)16-8-5-9-24-16/h4-11,18H,12H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide?
(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 95148293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).