3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide

C18H23N3O3 — CID 39226854

IUPAC3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cc(C)no2)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O3/c1-13-4-3-5-15(10-13)16(21-6-8-23-9-7-21)12-19-18(22)17-11-14(2)20-24-17/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyPKYVHXVVHQYLBZ-MRXNPFEDSA-N
MW329.40 g/mol
LogP2.09
Rot. Bonds5

About 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide (PubChem CID 39226854) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
PubChem CID39226854
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2cc(C)no2)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O3/c1-13-4-3-5-15(10-13)16(21-6-8-23-9-7-21)12-19-18(22)17-11-14(2)20-24-17/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyPKYVHXVVHQYLBZ-MRXNPFEDSA-N
XLogP2.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 29360681
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
CID 167784651
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110304128
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55659916
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97114576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide (CID 39226854) is 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide is Cc1cccc([C@@H](CNC(=O)c2cc(C)no2)N2CCOCC2)c1.
What is the InChIKey of 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PKYVHXVVHQYLBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-3-5-15(10-13)16(21-6-8-23-9-7-21)12-19-18(22)17-11-14(2)20-24-17/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 39226854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).