3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole

C10H15NO — CID 58715559

IUPAC3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole
SMILESCC(C)N1COC2=C1CCC=C2
InChIInChI=1S/C10H15NO/c1-8(2)11-7-12-10-6-4-3-5-9(10)11/h4,6,8H,3,5,7H2,1-2H3
InChIKeyVIACSBRPNYXDPT-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.25
Rot. Bonds1

About 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole

3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole (PubChem CID 58715559) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole
PubChem CID58715559
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole
SMILESCC(C)N1COC2=C1CCC=C2
InChIInChI=1S/C10H15NO/c1-8(2)11-7-12-10-6-4-3-5-9(10)11/h4,6,8H,3,5,7H2,1-2H3
InChIKeyVIACSBRPNYXDPT-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 134935258
3-Propan-2-yl-4,5-dihydro-1,3-benzoxazol-2-one
CID 60067172
4-propyl-3,5-dihydro-2H-furo[3,2-b]pyridine
CID 67795017
1-(2-Methoxy-3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 68381378
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 123784215
(4E)-3-methyl-2,5-dimethylidene-4-prop-2-enylidene-1,3-benzoxazole
CID 141801482
N,N-diethyl-4-methoxycyclohexa-2,4-dien-1-amine
CID 12090990

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole?
The IUPAC name of 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole (CID 58715559) is 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole.
What is the SMILES notation for 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole?
The canonical SMILES for 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole is CC(C)N1COC2=C1CCC=C2.
What is the InChIKey of 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole?
The InChIKey is VIACSBRPNYXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)11-7-12-10-6-4-3-5-9(10)11/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole?
3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole has a molecular weight of 165.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole is sourced from PubChem (CID 58715559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).