N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

C16H17N5O2 — CID 91793199

IUPACN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2/c22-15(7-4-8-21-12-17-11-19-21)18-9-14-10-23-16(20-14)13-5-2-1-3-6-13/h1-3,5-6,10-12H,4,7-9H2,(H,18,22)
InChIKeyBIZOIKFVXZDYOD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.03
Rot. Bonds7

About N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 91793199) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID91793199
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2/c22-15(7-4-8-21-12-17-11-19-21)18-9-14-10-23-16(20-14)13-5-2-1-3-6-13/h1-3,5-6,10-12H,4,7-9H2,(H,18,22)
InChIKeyBIZOIKFVXZDYOD-UHFFFAOYSA-N
XLogP2.03
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131901507
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131939523
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111552817
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 91762133
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 154773438
4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43473610
5-(methoxymethyl)-N-[4-[5-methyl-4-[[4-(1,2,4-triazol-1-yl)butanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
CID 42164475
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 135112950
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 91793199) is N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is BIZOIKFVXZDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(7-4-8-21-12-17-11-19-21)18-9-14-10-23-16(20-14)13-5-2-1-3-6-13/h1-3,5-6,10-12H,4,7-9H2,(H,18,22).
What are the key properties of N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 311.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 91793199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).