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

C15H16N4O — CID 60972062

IUPAC2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCC(Nc1ccc2oc(C3CC3)nc2c1)c1ccn[nH]1
InChIInChI=1S/C15H16N4O/c1-9(12-6-7-16-19-12)17-11-4-5-14-13(8-11)18-15(20-14)10-2-3-10/h4-10,17H,2-3H2,1H3,(H,16,19)
InChIKeyPDZJQRNSSIXGJC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.60
Rot. Bonds4

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

2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (PubChem CID 60972062) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
PubChem CID60972062
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCC(Nc1ccc2oc(C3CC3)nc2c1)c1ccn[nH]1
InChIInChI=1S/C15H16N4O/c1-9(12-6-7-16-19-12)17-11-4-5-14-13(8-11)18-15(20-14)10-2-3-10/h4-10,17H,2-3H2,1H3,(H,16,19)
InChIKeyPDZJQRNSSIXGJC-UHFFFAOYSA-N
XLogP3.60
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 54881596
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692573
2-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]-1,3-benzoxazol-5-amine
CID 115918873
N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine
CID 60972775
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-[1-(1H-pyrazol-5-yl)ethyl]quinolin-6-amine
CID 55097402
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
2-cyclopropyl-N-(oxan-4-yl)-1,3-benzoxazol-5-amine
CID 43686399
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
CID 34336748
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (CID 60972062) is 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is CC(Nc1ccc2oc(C3CC3)nc2c1)c1ccn[nH]1.
What is the InChIKey of 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The InChIKey is PDZJQRNSSIXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9(12-6-7-16-19-12)17-11-4-5-14-13(8-11)18-15(20-14)10-2-3-10/h4-10,17H,2-3H2,1H3,(H,16,19).
What are the key properties of 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 60972062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).