1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile

C17H17N5O2 — CID 23441531

IUPAC1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
SMILESCc1cnnn1CC1CN(c2ccc(C3(C#N)CC3)cc2)C(=O)O1
InChIInChI=1S/C17H17N5O2/c1-12-8-19-20-22(12)10-15-9-21(16(23)24-15)14-4-2-13(3-5-14)17(11-18)6-7-17/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyOTGXXONBELYJLM-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.17
Rot. Bonds4

About 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 23441531) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID23441531
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
SMILESCc1cnnn1CC1CN(c2ccc(C3(C#N)CC3)cc2)C(=O)O1
InChIInChI=1S/C17H17N5O2/c1-12-8-19-20-22(12)10-15-9-21(16(23)24-15)14-4-2-13(3-5-14)17(11-18)6-7-17/h2-5,8,15H,6-7,9-10H2,1H3
InChIKeyOTGXXONBELYJLM-UHFFFAOYSA-N
XLogP2.17
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441457
1-[4-[(5R)-2-oxo-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 10215013
1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441529
1-[[3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carbonitrile
CID 23441535
1-[4-[(5R)-5-[[4-(hydroxyiminomethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 91273822
(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 70883889
1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile;methanimidamide
CID 142250529
1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 20616594
(2S)-2-chloro-N-[[(5S)-3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 10125997
N-[[3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23441483
1-[4-[(5R)-5-[[5-(hydroxyiminomethyl)-2H-triazol-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 173218589
N-[[3-[4-[5-(1-cyanocyclopropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 73095812

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile (CID 23441531) is 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile is Cc1cnnn1CC1CN(c2ccc(C3(C#N)CC3)cc2)C(=O)O1.
What is the InChIKey of 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is OTGXXONBELYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-8-19-20-22(12)10-15-9-21(16(23)24-15)14-4-2-13(3-5-14)17(11-18)6-7-17/h2-5,8,15H,6-7,9-10H2,1H3.
What are the key properties of 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 23441531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).