2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole

C14H17NO — CID 82230675

IUPAC2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C14H17NO/c1-9(2)7-10-3-6-13-12(8-10)15-14(16-13)11-4-5-11/h3,6,8-9,11H,4-5,7H2,1-2H3
InChIKeyMBPVKXZKVVGLQA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.90
Rot. Bonds3

About 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole

2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole (PubChem CID 82230675) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
PubChem CID82230675
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)Cc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C14H17NO/c1-9(2)7-10-3-6-13-12(8-10)15-14(16-13)11-4-5-11/h3,6,8-9,11H,4-5,7H2,1-2H3
InChIKeyMBPVKXZKVVGLQA-UHFFFAOYSA-N
XLogP3.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-(2-methylpropyl)-1,3-benzoxazole
CID 59731320
2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 84693601
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
CID 104749624
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
CID 82233469
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
CID 117306724
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
3-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpropane-1-sulfonamide
CID 79557016
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole (CID 82230675) is 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole is CC(C)Cc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole?
The InChIKey is MBPVKXZKVVGLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(2)7-10-3-6-13-12(8-10)15-14(16-13)11-4-5-11/h3,6,8-9,11H,4-5,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole?
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole has a molecular weight of 215.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 82230675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).