1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide

C18H24N4O3 — CID 27260652

IUPAC1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C(C)C)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)17-16(18(23)19-11-15-5-4-10-25-15)20-21-22(17)13-6-8-14(24-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyGKIATPPMZRCJCB-OAHLLOKOSA-N
MW344.42 g/mol
LogP2.31
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide

1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide (PubChem CID 27260652) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
PubChem CID27260652
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C(C)C)cc1
InChIInChI=1S/C18H24N4O3/c1-12(2)17-16(18(23)19-11-15-5-4-10-25-15)20-21-22(17)13-6-8-14(24-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyGKIATPPMZRCJCB-OAHLLOKOSA-N
XLogP2.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
1-(3-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27261475
6-methoxy-1-(4-methoxyphenyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 95099143
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
4-ethyl-2-(4-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42836032
3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42820183
1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42818227
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
1-(4-methoxyphenyl)-6-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91945572
1-(4-methoxyphenyl)-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 97465078
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide (CID 27260652) is 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide?
The InChIKey is GKIATPPMZRCJCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)17-16(18(23)19-11-15-5-4-10-25-15)20-21-22(17)13-6-8-14(24-3)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide?
1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 27260652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).