2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole

C14H15NO — CID 82230661

IUPAC2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
SMILESc1c2c(cc3oc(C4CC4)nc13)CCCC2
InChIInChI=1S/C14H15NO/c1-2-4-11-8-13-12(7-10(11)3-1)15-14(16-13)9-5-6-9/h7-9H,1-6H2
InChIKeyNHPNKRZRZBLVBW-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.58
Rot. Bonds1

About 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole

2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole (PubChem CID 82230661) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole.

Molecular Properties

Compound Name2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
PubChem CID82230661
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole
SMILESc1c2c(cc3oc(C4CC4)nc13)CCCC2
InChIInChI=1S/C14H15NO/c1-2-4-11-8-13-12(7-10(11)3-1)15-14(16-13)9-5-6-9/h7-9H,1-6H2
InChIKeyNHPNKRZRZBLVBW-UHFFFAOYSA-N
XLogP3.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole?
The IUPAC name of 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole (CID 82230661) is 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole.
What is the SMILES notation for 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole?
The canonical SMILES for 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole is c1c2c(cc3oc(C4CC4)nc13)CCCC2.
What is the InChIKey of 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole?
The InChIKey is NHPNKRZRZBLVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-4-11-8-13-12(7-10(11)3-1)15-14(16-13)9-5-6-9/h7-9H,1-6H2.
What are the key properties of 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole?
2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole has a molecular weight of 213.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole is sourced from PubChem (CID 82230661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).