N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide

C17H18N4O2 — CID 47084365

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H18N4O2/c22-16(3-1-9-21-10-2-8-18-21)19-13-6-7-15-14(11-13)20-17(23-15)12-4-5-12/h2,6-8,10-12H,1,3-5,9H2,(H,19,22)
InChIKeyWQGUYQKAYVRYCK-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.32
Rot. Bonds6

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide (PubChem CID 47084365) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
PubChem CID47084365
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H18N4O2/c22-16(3-1-9-21-10-2-8-18-21)19-13-6-7-15-14(11-13)20-17(23-15)12-4-5-12/h2,6-8,10-12H,1,3-5,9H2,(H,19,22)
InChIKeyWQGUYQKAYVRYCK-UHFFFAOYSA-N
XLogP3.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide (CID 47084365) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide?
The InChIKey is WQGUYQKAYVRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(3-1-9-21-10-2-8-18-21)19-13-6-7-15-14(11-13)20-17(23-15)12-4-5-12/h2,6-8,10-12H,1,3-5,9H2,(H,19,22).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide has a molecular weight of 310.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 47084365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).