N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H22N4O3 — CID 3800940

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H22N4O3/c1-18(2,3)14-11-15(21(4)20-14)19-16(23)9-10-22-12-7-5-6-8-13(12)25-17(22)24/h5-8,11H,9-10H2,1-4H3,(H,19,23)
InChIKeySGWAMHLYGYBMPU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds4

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3800940) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3800940
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H22N4O3/c1-18(2,3)14-11-15(21(4)20-14)19-16(23)9-10-22-12-7-5-6-8-13(12)25-17(22)24/h5-8,11H,9-10H2,1-4H3,(H,19,23)
InChIKeySGWAMHLYGYBMPU-UHFFFAOYSA-N
XLogP2.65
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3800940) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cn1nc(C(C)(C)C)cc1NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is SGWAMHLYGYBMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(2,3)14-11-15(21(4)20-14)19-16(23)9-10-22-12-7-5-6-8-13(12)25-17(22)24/h5-8,11H,9-10H2,1-4H3,(H,19,23).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3800940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).