1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide

C21H29N5O3 — CID 74229926

IUPAC1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C21H29N5O3/c27-20(19-16-26(24-23-19)9-8-25-10-14-29-15-11-25)22-17-21(6-12-28-13-7-21)18-4-2-1-3-5-18/h1-5,16H,6-15,17H2,(H,22,27)
InChIKeyUGQSIZUJFQGLCC-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.09
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide

1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide (PubChem CID 74229926) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide
PubChem CID74229926
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C21H29N5O3/c27-20(19-16-26(24-23-19)9-8-25-10-14-29-15-11-25)22-17-21(6-12-28-13-7-21)18-4-2-1-3-5-18/h1-5,16H,6-15,17H2,(H,22,27)
InChIKeyUGQSIZUJFQGLCC-UHFFFAOYSA-N
XLogP1.09
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 118792392
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-(2-morpholin-4-ylethyl)-N-(6-oxaspiro[2.5]octan-2-yl)triazole-4-carboxamide
CID 167985130
N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 138026038
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 28737024
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 86984557

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide (CID 74229926) is 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)c1cn(CCN2CCOCC2)nn1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is UGQSIZUJFQGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c27-20(19-16-26(24-23-19)9-8-25-10-14-29-15-11-25)22-17-21(6-12-28-13-7-21)18-4-2-1-3-5-18/h1-5,16H,6-15,17H2,(H,22,27).
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide?
1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 74229926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).