N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide

C17H20N4O2 — CID 118761451

IUPACN-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCCCc1nc2ccccc2o1
InChIInChI=1S/C17H20N4O2/c1-21-13(10-12-19-21)8-9-16(22)18-11-4-7-17-20-14-5-2-3-6-15(14)23-17/h2-3,5-6,10,12H,4,7-9,11H2,1H3,(H,18,22)
InChIKeyMAKFPUBFKUSOPX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.24
Rot. Bonds7

About N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 118761451) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID118761451
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCCCc1nc2ccccc2o1
InChIInChI=1S/C17H20N4O2/c1-21-13(10-12-19-21)8-9-16(22)18-11-4-7-17-20-14-5-2-3-6-15(14)23-17/h2-3,5-6,10,12H,4,7-9,11H2,1H3,(H,18,22)
InChIKeyMAKFPUBFKUSOPX-UHFFFAOYSA-N
XLogP2.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70780601
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 118776844
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
CID 167929245
N-[3-(1,3-benzoxazol-2-yl)propyl]formamide
CID 87717717
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
CID 39278562
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 118761451) is N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NCCCc1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is MAKFPUBFKUSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-13(10-12-19-21)8-9-16(22)18-11-4-7-17-20-14-5-2-3-6-15(14)23-17/h2-3,5-6,10,12H,4,7-9,11H2,1H3,(H,18,22).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 118761451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).