2-propan-2-ylidene-3H-1,3-benzoxazole

C10H11NO — CID 146214721

IUPAC2-propan-2-ylidene-3H-1,3-benzoxazole
SMILESCC(C)=C1Nc2ccccc2O1
InChIInChI=1S/C10H11NO/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6,11H,1-2H3
InChIKeyIFUIWRNBHRXVCJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.74
Rot. Bonds

About 2-propan-2-ylidene-3H-1,3-benzoxazole

2-propan-2-ylidene-3H-1,3-benzoxazole (PubChem CID 146214721) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-propan-2-ylidene-3H-1,3-benzoxazole.

Molecular Properties

Compound Name2-propan-2-ylidene-3H-1,3-benzoxazole
PubChem CID146214721
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-propan-2-ylidene-3H-1,3-benzoxazole
SMILESCC(C)=C1Nc2ccccc2O1
InChIInChI=1S/C10H11NO/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6,11H,1-2H3
InChIKeyIFUIWRNBHRXVCJ-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2(3H)-Benzoxazolone
CID 6043
2-Mercaptobenzoxazole
CID 712377
Acetamide, N-(2-methoxyphenyl)-
CID 7135
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-Methyl-1,3-benzoxazole-2(3H)-thione
CID 139538
5-Amino-2,3-dihydro-1,3-benzoxazol-2-one
CID 26856
2-Benzoxazolinone, 3-methyl-
CID 30846
5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 322632
6-Methyl-1,3-benzoxazole-2-thiol
CID 963501
Benzenamine, 2-methoxy-N,N-dimethyl-
CID 136536
2-Methoxyformanilide
CID 243581
5-Fluoro-2(3H)-benzoxazolone
CID 287208

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidene-3H-1,3-benzoxazole?
The IUPAC name of 2-propan-2-ylidene-3H-1,3-benzoxazole (CID 146214721) is 2-propan-2-ylidene-3H-1,3-benzoxazole.
What is the SMILES notation for 2-propan-2-ylidene-3H-1,3-benzoxazole?
The canonical SMILES for 2-propan-2-ylidene-3H-1,3-benzoxazole is CC(C)=C1Nc2ccccc2O1.
What is the InChIKey of 2-propan-2-ylidene-3H-1,3-benzoxazole?
The InChIKey is IFUIWRNBHRXVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6,11H,1-2H3.
What are the key properties of 2-propan-2-ylidene-3H-1,3-benzoxazole?
2-propan-2-ylidene-3H-1,3-benzoxazole has a molecular weight of 161.20 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-3H-1,3-benzoxazole is sourced from PubChem (CID 146214721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).