(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole

C14H12ClNO2 — CID 6929817

IUPAC(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
SMILESCOc1ccc([C@H]2Nc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C14H12ClNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8,14,16H,1H3/t14-/m0/s1
InChIKeyLNTHSPHYJRJFTG-AWEZNQCLSA-N
MW261.71 g/mol
LogP3.85
Rot. Bonds2

About (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole

(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole (PubChem CID 6929817) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
PubChem CID6929817
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
SMILESCOc1ccc([C@H]2Nc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C14H12ClNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8,14,16H,1H3/t14-/m0/s1
InChIKeyLNTHSPHYJRJFTG-AWEZNQCLSA-N
XLogP3.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2,3-dihydro-1,3-benzoxazol-2-yl)benzonitrile
CID 2799099
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
(2S)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
CID 20610832
(4aS,5S,10bS)-9-chloro-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 92878413
6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 15566168
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 10786053
(1S,3aR,9aS)-1-(4-methoxyphenyl)-7-methyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b][1,4]benzoxazin-2-one
CID 71505602
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
(2R,4R)-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-benzo[h][1,3]benzoxazine
CID 101370246
2-chloro-9-(4-chlorophenyl)-6-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 3978384

Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole (CID 6929817) is (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole is COc1ccc([C@H]2Nc3cc(Cl)ccc3O2)cc1.
What is the InChIKey of (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole?
The InChIKey is LNTHSPHYJRJFTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8,14,16H,1H3/t14-/m0/s1.
What are the key properties of (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole?
(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole has a molecular weight of 261.71 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 6929817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).