(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide

C14H14N2O3 — CID 99699200

IUPAC(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H14N2O3/c17-14(12-2-1-7-18-12)16-11-5-3-10(4-6-11)13-8-15-9-19-13/h3-6,8-9,12H,1-2,7H2,(H,16,17)/t12-/m0/s1
InChIKeyDBRNJRBMEGXKPT-LBPRGKRZSA-N
MW258.28 g/mol
LogP2.46
Rot. Bonds3

About (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide

(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide (PubChem CID 99699200) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide
PubChem CID99699200
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCCO1
InChIInChI=1S/C14H14N2O3/c17-14(12-2-1-7-18-12)16-11-5-3-10(4-6-11)13-8-15-9-19-13/h3-6,8-9,12H,1-2,7H2,(H,16,17)/t12-/m0/s1
InChIKeyDBRNJRBMEGXKPT-LBPRGKRZSA-N
XLogP2.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 114997982
(2R)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]oxolane-2-carboxamide
CID 138587315
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide (CID 99699200) is (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is DBRNJRBMEGXKPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(12-2-1-7-18-12)16-11-5-3-10(4-6-11)13-8-15-9-19-13/h3-6,8-9,12H,1-2,7H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide?
(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 99699200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).