2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine

C15H18N2O2 — CID 82834532

IUPAC2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NCC1CCCO1
InChIInChI=1S/C15H18N2O2/c1-2-12(18-7-1)9-16-11-5-6-14-13(8-11)17-15(19-14)10-3-4-10/h5-6,8,10,12,16H,1-4,7,9H2
InChIKeyRUAYTSCLVQNSNG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.30
Rot. Bonds4

About 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine

2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 82834532) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID82834532
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NCC1CCCO1
InChIInChI=1S/C15H18N2O2/c1-2-12(18-7-1)9-16-11-5-6-14-13(8-11)17-15(19-14)10-3-4-10/h5-6,8,10,12,16H,1-4,7,9H2
InChIKeyRUAYTSCLVQNSNG-UHFFFAOYSA-N
XLogP3.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081682
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438
2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
CID 62345894
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 63657219
2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412586
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
1-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 83084989
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine (CID 82834532) is 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine is c1cc2oc(C3CC3)nc2cc1NCC1CCCO1.
What is the InChIKey of 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is RUAYTSCLVQNSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-12(18-7-1)9-16-11-5-6-14-13(8-11)17-15(19-14)10-3-4-10/h5-6,8,10,12,16H,1-4,7,9H2.
What are the key properties of 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82834532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).