2-cyclopropyl-7-ethyl-1,3-benzoxazole

C12H13NO — CID 82229837

IUPAC2-cyclopropyl-7-ethyl-1,3-benzoxazole
SMILESCCc1cccc2nc(C3CC3)oc12
InChIInChI=1S/C12H13NO/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3
InChIKeyVQXACYPESWMGSP-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.27
Rot. Bonds2

About 2-cyclopropyl-7-ethyl-1,3-benzoxazole

2-cyclopropyl-7-ethyl-1,3-benzoxazole (PubChem CID 82229837) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-cyclopropyl-7-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-cyclopropyl-7-ethyl-1,3-benzoxazole
PubChem CID82229837
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-cyclopropyl-7-ethyl-1,3-benzoxazole
SMILESCCc1cccc2nc(C3CC3)oc12
InChIInChI=1S/C12H13NO/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3
InChIKeyVQXACYPESWMGSP-UHFFFAOYSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-cyclopentyl-7-ethyl-1,3-benzoxazol-5-amine
CID 82231333
1-(2-cyclopropyl-1,3-benzoxazol-7-yl)azetidin-3-amine
CID 96601239
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 136547308
4-(1,3-benzoxazol-2-yl)-N-methylcyclohexan-1-amine
CID 116999923
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-ethyl-1,3-benzoxazole?
The IUPAC name of 2-cyclopropyl-7-ethyl-1,3-benzoxazole (CID 82229837) is 2-cyclopropyl-7-ethyl-1,3-benzoxazole.
What is the SMILES notation for 2-cyclopropyl-7-ethyl-1,3-benzoxazole?
The canonical SMILES for 2-cyclopropyl-7-ethyl-1,3-benzoxazole is CCc1cccc2nc(C3CC3)oc12.
What is the InChIKey of 2-cyclopropyl-7-ethyl-1,3-benzoxazole?
The InChIKey is VQXACYPESWMGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-7-ethyl-1,3-benzoxazole?
2-cyclopropyl-7-ethyl-1,3-benzoxazole has a molecular weight of 187.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-ethyl-1,3-benzoxazole is sourced from PubChem (CID 82229837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).