N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide

C18H21N5O3 — CID 91772443

IUPACN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1cc(CNC(=O)CCCc2nc(-c3cccnc3)no2)on1
InChIInChI=1S/C18H21N5O3/c1-12(2)15-9-14(25-22-15)11-20-16(24)6-3-7-17-21-18(23-26-17)13-5-4-8-19-10-13/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,20,24)
InChIKeyXERBHGVVQPWNOV-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.88
Rot. Bonds8

About N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 91772443) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID91772443
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1cc(CNC(=O)CCCc2nc(-c3cccnc3)no2)on1
InChIInChI=1S/C18H21N5O3/c1-12(2)15-9-14(25-22-15)11-20-16(24)6-3-7-17-21-18(23-26-17)13-5-4-8-19-10-13/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,20,24)
InChIKeyXERBHGVVQPWNOV-UHFFFAOYSA-N
XLogP2.88
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124864434
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 50983094
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119067084
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748204
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 17101575
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 50745272
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
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3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 91772443) is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1cc(CNC(=O)CCCc2nc(-c3cccnc3)no2)on1.
What is the InChIKey of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is XERBHGVVQPWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12(2)15-9-14(25-22-15)11-20-16(24)6-3-7-17-21-18(23-26-17)13-5-4-8-19-10-13/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 355.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 91772443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).