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

C14H15BrN2O3 — CID 136585225

IUPAC(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(Br)ccc1C1=NCCO1)[C@@H]1CCCO1
InChIInChI=1S/C14H15BrN2O3/c15-9-3-4-10(14-16-5-7-20-14)11(8-9)17-13(18)12-2-1-6-19-12/h3-4,8,12H,1-2,5-7H2,(H,17,18)/t12-/m0/s1
InChIKeyJJOCQNDCTQKCEY-LBPRGKRZSA-N
MW339.19 g/mol
LogP2.34
Rot. Bonds3

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

(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 136585225) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID136585225
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(Br)ccc1C1=NCCO1)[C@@H]1CCCO1
InChIInChI=1S/C14H15BrN2O3/c15-9-3-4-10(14-16-5-7-20-14)11(8-9)17-13(18)12-2-1-6-19-12/h3-4,8,12H,1-2,5-7H2,(H,17,18)/t12-/m0/s1
InChIKeyJJOCQNDCTQKCEY-LBPRGKRZSA-N
XLogP2.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 52517109
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 43548175

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide (CID 136585225) is (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1cc(Br)ccc1C1=NCCO1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is JJOCQNDCTQKCEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-9-3-4-10(14-16-5-7-20-14)11(8-9)17-13(18)12-2-1-6-19-12/h3-4,8,12H,1-2,5-7H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide?
(2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-bromo-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 136585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).