N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C25H31N3O4 — CID 46021310

IUPACN-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NC(C)CC)c1
InChIInChI=1S/C25H31N3O4/c1-5-17(4)26-24(30)22-23(19-8-7-9-20(14-19)27-21(29)6-2)32-25(31)28(22)15-18-12-10-16(3)11-13-18/h7-14,17,22-23H,5-6,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyDKJDNPKHUKTONC-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.32
Rot. Bonds8

About N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide

N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 46021310) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID46021310
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NC(C)CC)c1
InChIInChI=1S/C25H31N3O4/c1-5-17(4)26-24(30)22-23(19-8-7-9-20(14-19)27-21(29)6-2)32-25(31)28(22)15-18-12-10-16(3)11-13-18/h7-14,17,22-23H,5-6,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyDKJDNPKHUKTONC-UHFFFAOYSA-N
XLogP4.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021307
(4S,5S)-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202447
(4S,5S)-N-[(2S)-butan-2-yl]-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202645
5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840933
(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202485
(4R,5S)-3-[(4-methylphenyl)methyl]-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93202309
(4S,5S)-N-ethyl-5-[3-(3-methylbutanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202400
N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841177
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide
CID 42841183
3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841179
5-[3-(3-methylbutanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021295
(4S,5S)-3-[(4-methylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202483

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 46021310) is N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is DKJDNPKHUKTONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-17(4)26-24(30)22-23(19-8-7-9-20(14-19)27-21(29)6-2)32-25(31)28(22)15-18-12-10-16(3)11-13-18/h7-14,17,22-23H,5-6,15H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).