N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide

C18H18N6O2 — CID 125025864

IUPACN-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1ccnc([C@H]2CCCO2)n1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H18N6O2/c25-18(13-3-1-4-15(9-13)24-11-21-22-12-24)20-10-14-6-7-19-17(23-14)16-5-2-8-26-16/h1,3-4,6-7,9,11-12,16H,2,5,8,10H2,(H,20,25)/t16-/m1/s1
InChIKeyZPNRKRHNJZKAQY-MRXNPFEDSA-N
MW350.38 g/mol
LogP1.84
Rot. Bonds5

About N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 125025864) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID125025864
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1ccnc([C@H]2CCCO2)n1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H18N6O2/c25-18(13-3-1-4-15(9-13)24-11-21-22-12-24)20-10-14-6-7-19-17(23-14)16-5-2-8-26-16/h1,3-4,6-7,9,11-12,16H,2,5,8,10H2,(H,20,25)/t16-/m1/s1
InChIKeyZPNRKRHNJZKAQY-MRXNPFEDSA-N
XLogP1.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117907
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 124949037
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 146042664
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77096679
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CID 97188851
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
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N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 125025864) is N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is O=C(NCc1ccnc([C@H]2CCCO2)n1)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ZPNRKRHNJZKAQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(13-3-1-4-15(9-13)24-11-21-22-12-24)20-10-14-6-7-19-17(23-14)16-5-2-8-26-16/h1,3-4,6-7,9,11-12,16H,2,5,8,10H2,(H,20,25)/t16-/m1/s1.
What are the key properties of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 350.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 125025864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).