2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine

C16H20N2O2 — CID 115918873

IUPAC2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCC(Nc1ccc2oc(C3CC3)nc2c1)C1CCOC1
InChIInChI=1S/C16H20N2O2/c1-10(12-6-7-19-9-12)17-13-4-5-15-14(8-13)18-16(20-15)11-2-3-11/h4-5,8,10-12,17H,2-3,6-7,9H2,1H3
InChIKeyMGPFAXDBRDMIPU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.54
Rot. Bonds4

About 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine

2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine (PubChem CID 115918873) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine
PubChem CID115918873
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCC(Nc1ccc2oc(C3CC3)nc2c1)C1CCOC1
InChIInChI=1S/C16H20N2O2/c1-10(12-6-7-19-9-12)17-13-4-5-15-14(8-13)18-16(20-15)11-2-3-11/h4-5,8,10-12,17H,2-3,6-7,9H2,1H3
InChIKeyMGPFAXDBRDMIPU-UHFFFAOYSA-N
XLogP3.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081682
2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 60972062
2-cyclopropyl-N-[(1S)-1-(1,1-dioxothian-4-yl)ethyl]-1,3-benzoxazol-6-amine
CID 164627822
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
2-chloro-1-N,1-N-dimethyl-4-N-[1-(oxolan-3-yl)ethyl]benzene-1,4-diamine
CID 115929193
4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 114838689

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine (CID 115918873) is 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine is CC(Nc1ccc2oc(C3CC3)nc2c1)C1CCOC1.
What is the InChIKey of 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine?
The InChIKey is MGPFAXDBRDMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(12-6-7-19-9-12)17-13-4-5-15-14(8-13)18-16(20-15)11-2-3-11/h4-5,8,10-12,17H,2-3,6-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 115918873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).