2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol

C16H22N2O2 — CID 81412586

IUPAC2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H22N2O2/c1-3-16(2,10-19)9-17-12-6-7-14-13(8-12)18-15(20-14)11-4-5-11/h6-8,11,17,19H,3-5,9-10H2,1-2H3
InChIKeyBEVLVFZNBLBYSQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.53
Rot. Bonds6

About 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol

2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 81412586) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
PubChem CID81412586
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H22N2O2/c1-3-16(2,10-19)9-17-12-6-7-14-13(8-12)18-15(20-14)11-4-5-11/h6-8,11,17,19H,3-5,9-10H2,1-2H3
InChIKeyBEVLVFZNBLBYSQ-UHFFFAOYSA-N
XLogP3.53
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-ethyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81418601
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754574
2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
CID 62345894
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
tert-butyl N-[3-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]propyl]carbamate
CID 113269152
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
5-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]thiophene-2-carbonitrile
CID 115743173
2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
CID 104749624
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol (CID 81412586) is 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is BEVLVFZNBLBYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-16(2,10-19)9-17-12-6-7-14-13(8-12)18-15(20-14)11-4-5-11/h6-8,11,17,19H,3-5,9-10H2,1-2H3.
What are the key properties of 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol?
2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).