CID 72964471

C14H12NO — CID 72964471

IUPAC—
SMILES[CH]1[CH][CH][C](C2=NC(c3ccccc3)CO2)[CH]1
InChIInChI=1S/C14H12NO/c1-2-6-11(7-3-1)13-10-16-14(15-13)12-8-4-5-9-12/h1-9,13H,10H2
InChIKeyJIMDKTWPTBGNKU-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.56
Rot. Bonds2

About CID 72964471

CID 72964471 (PubChem CID 72964471) has the molecular formula C14H12NO and a molecular weight of 210.26 g/mol.

Molecular Properties

Compound NameCID 72964471
PubChem CID72964471
Molecular FormulaC14H12NO
Molecular Weight210.26 g/mol
Exact Mass210.09
IUPAC Name—
SMILES[CH]1[CH][CH][C](C2=NC(c3ccccc3)CO2)[CH]1
InChIInChI=1S/C14H12NO/c1-2-6-11(7-3-1)13-10-16-14(15-13)12-8-4-5-9-12/h1-9,13H,10H2
InChIKeyJIMDKTWPTBGNKU-UHFFFAOYSA-N
XLogP2.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
CID 101386692
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 166067950
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
CID 10553823
CID 10553823
3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 24947825
(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 132555473
methanidylbenzene;2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol;titanium(3+)
CID 168819349
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
CID 11442483
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
CID 170898983

Frequently Asked Questions

What is the IUPAC name of CID 72964471?
The IUPAC name of CID 72964471 (CID 72964471) is not available.
What is the SMILES notation for CID 72964471?
The canonical SMILES for CID 72964471 is [CH]1[CH][CH][C](C2=NC(c3ccccc3)CO2)[CH]1.
What is the InChIKey of CID 72964471?
The InChIKey is JIMDKTWPTBGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NO/c1-2-6-11(7-3-1)13-10-16-14(15-13)12-8-4-5-9-12/h1-9,13H,10H2.
What are the key properties of CID 72964471?
CID 72964471 has a molecular weight of 210.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72964471 is sourced from PubChem (CID 72964471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).