(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine

C14H18N2O — CID 166557495

IUPAC(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
SMILESCC(C)c1nc2cc(CN)cc(C3CC3)c2o1
InChIInChI=1S/C14H18N2O/c1-8(2)14-16-12-6-9(7-15)5-11(10-3-4-10)13(12)17-14/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyAPPVXHOGKVTNRY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.29
Rot. Bonds3

About (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine

(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine (PubChem CID 166557495) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine.

Molecular Properties

Compound Name(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
PubChem CID166557495
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
SMILESCC(C)c1nc2cc(CN)cc(C3CC3)c2o1
InChIInChI=1S/C14H18N2O/c1-8(2)14-16-12-6-9(7-15)5-11(10-3-4-10)13(12)17-14/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyAPPVXHOGKVTNRY-UHFFFAOYSA-N
XLogP3.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine?
The IUPAC name of (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine (CID 166557495) is (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine.
What is the SMILES notation for (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine?
The canonical SMILES for (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine is CC(C)c1nc2cc(CN)cc(C3CC3)c2o1.
What is the InChIKey of (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine?
The InChIKey is APPVXHOGKVTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8(2)14-16-12-6-9(7-15)5-11(10-3-4-10)13(12)17-14/h5-6,8,10H,3-4,7,15H2,1-2H3.
What are the key properties of (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine?
(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine is sourced from PubChem (CID 166557495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).