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

C17H16N4O2 — CID 23441529

IUPAC1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(N3CC(Cn4ccnc4)OC3=O)cc2)CC1
InChIInChI=1S/C17H16N4O2/c18-11-17(5-6-17)13-1-3-14(4-2-13)21-10-15(23-16(21)22)9-20-8-7-19-12-20/h1-4,7-8,12,15H,5-6,9-10H2
InChIKeyFLRSBHGICJDTEM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.46
Rot. Bonds4

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

1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 23441529) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID23441529
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(N3CC(Cn4ccnc4)OC3=O)cc2)CC1
InChIInChI=1S/C17H16N4O2/c18-11-17(5-6-17)13-1-3-14(4-2-13)21-10-15(23-16(21)22)9-20-8-7-19-12-20/h1-4,7-8,12,15H,5-6,9-10H2
InChIKeyFLRSBHGICJDTEM-UHFFFAOYSA-N
XLogP2.46
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441457
1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441531
(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 69364312
1-[[3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carbonitrile
CID 23441535
1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 20616594
1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile;methanimidamide
CID 142250529
1-[4-[(5R)-5-[[4-(hydroxyiminomethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 91273822
(2S)-2-chloro-N-[[(5S)-3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 10125997
1-[4-[(5R)-5-[[5-(hydroxyiminomethyl)-2H-triazol-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 173218589
3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 71740834
N-[[3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23441483

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile (CID 23441529) is 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(N3CC(Cn4ccnc4)OC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is FLRSBHGICJDTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-11-17(5-6-17)13-1-3-14(4-2-13)21-10-15(23-16(21)22)9-20-8-7-19-12-20/h1-4,7-8,12,15H,5-6,9-10H2.
What are the key properties of 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 23441529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).