ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate

C14H18N4O3 — CID 103107201

IUPACethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(Cc2nc(C)c(C)o2)c1C1CC1
InChIInChI=1S/C14H18N4O3/c1-4-20-14(19)12-13(10-5-6-10)18(17-16-12)7-11-15-8(2)9(3)21-11/h10H,4-7H2,1-3H3
InChIKeyWJTFLVFFLFAUIU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.99
Rot. Bonds5

About ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate

ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate (PubChem CID 103107201) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate
PubChem CID103107201
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1nnn(Cc2nc(C)c(C)o2)c1C1CC1
InChIInChI=1S/C14H18N4O3/c1-4-20-14(19)12-13(10-5-6-10)18(17-16-12)7-11-15-8(2)9(3)21-11/h10H,4-7H2,1-3H3
InChIKeyWJTFLVFFLFAUIU-UHFFFAOYSA-N
XLogP1.99
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-propyltriazole-4-carboxylic acid
CID 62054579
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62054590
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62055033
5-Cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62055092
5-Tert-butyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62059300
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 62060767
5-Cyclopropyl-1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 81952452
Methyl 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 102644030
Methyl 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 102644135
1-[(5-Methyl-1,3-oxazol-4-yl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645656
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645755
Methyl 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(2-methoxyethyl)triazole-4-carboxylate
CID 102646291

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate (CID 103107201) is ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate is CCOC(=O)c1nnn(Cc2nc(C)c(C)o2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate?
The InChIKey is WJTFLVFFLFAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-20-14(19)12-13(10-5-6-10)18(17-16-12)7-11-15-8(2)9(3)21-11/h10H,4-7H2,1-3H3.
What are the key properties of ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 103107201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).