4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide

C14H18N2O3 — CID 57349114

IUPAC4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
SMILESCCCCC1C(c2ccccc2)OC(=O)N1C(N)=O
InChIInChI=1S/C14H18N2O3/c1-2-3-9-11-12(10-7-5-4-6-8-10)19-14(18)16(11)13(15)17/h4-8,11-12H,2-3,9H2,1H3,(H2,15,17)
InChIKeyNKVYCMSDCQPQTN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.82
Rot. Bonds4

About 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide

4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 57349114) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
PubChem CID57349114
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
SMILESCCCCC1C(c2ccccc2)OC(=O)N1C(N)=O
InChIInChI=1S/C14H18N2O3/c1-2-3-9-11-12(10-7-5-4-6-8-10)19-14(18)16(11)13(15)17/h4-8,11-12H,2-3,9H2,1H3,(H2,15,17)
InChIKeyNKVYCMSDCQPQTN-UHFFFAOYSA-N
XLogP2.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4R,5R)-4-butyl-3-(tert-butylsulfanylmethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11088537
(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
CID 142774649
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(4R,5S)-3-[(2S,3R)-3-fluoro-2-methylhexadecanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16720436
(4R,5S)-3-(2-ethoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13438718
4-butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylhexanoyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10522990
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
4-methyl-3-(2-methylhept-4-ynoyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14470147

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide (CID 57349114) is 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide is CCCCC1C(c2ccccc2)OC(=O)N1C(N)=O.
What is the InChIKey of 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is NKVYCMSDCQPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-3-9-11-12(10-7-5-4-6-8-10)19-14(18)16(11)13(15)17/h4-8,11-12H,2-3,9H2,1H3,(H2,15,17).
What are the key properties of 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide?
4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 57349114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).