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

C16H15N3O — CID 43686438

IUPAC2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1ccc(CNc2ccc3oc(C4CC4)nc3c2)nc1
InChIInChI=1S/C16H15N3O/c1-2-8-17-13(3-1)10-18-12-6-7-15-14(9-12)19-16(20-15)11-4-5-11/h1-3,6-9,11,18H,4-5,10H2
InChIKeyHLFQRNXCCVZTTI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.71
Rot. Bonds4

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

2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 43686438) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID43686438
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1ccc(CNc2ccc3oc(C4CC4)nc3c2)nc1
InChIInChI=1S/C16H15N3O/c1-2-8-17-13(3-1)10-18-12-6-7-15-14(9-12)19-16(20-15)11-4-5-11/h1-3,6-9,11,18H,4-5,10H2
InChIKeyHLFQRNXCCVZTTI-UHFFFAOYSA-N
XLogP3.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine (CID 43686438) is 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine is c1ccc(CNc2ccc3oc(C4CC4)nc3c2)nc1.
What is the InChIKey of 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is HLFQRNXCCVZTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-8-17-13(3-1)10-18-12-6-7-15-14(9-12)19-16(20-15)11-4-5-11/h1-3,6-9,11,18H,4-5,10H2.
What are the key properties of 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 265.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).