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

C19H18N4O2 — CID 20616594

IUPAC1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(N3C[C@H](CNc4ccccn4)OC3=O)cc2)CC1
InChIInChI=1S/C19H18N4O2/c20-13-19(8-9-19)14-4-6-15(7-5-14)23-12-16(25-18(23)24)11-22-17-3-1-2-10-21-17/h1-7,10,16H,8-9,11-12H2,(H,21,22)/t16-/m0/s1
InChIKeyPPRDHPZBTYAPJU-INIZCTEOSA-N
MW334.38 g/mol
LogP3.07
Rot. Bonds5

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

1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 20616594) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID20616594
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(N3C[C@H](CNc4ccccn4)OC3=O)cc2)CC1
InChIInChI=1S/C19H18N4O2/c20-13-19(8-9-19)14-4-6-15(7-5-14)23-12-16(25-18(23)24)11-22-17-3-1-2-10-21-17/h1-7,10,16H,8-9,11-12H2,(H,21,22)/t16-/m0/s1
InChIKeyPPRDHPZBTYAPJU-INIZCTEOSA-N
XLogP3.07
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(5S)-3-[4-(1-isocyanocyclopropyl)phenyl]-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-2-one
CID 59120531
1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441457
1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441529
(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)-2-oxo-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 10215013
N-[[3-[4-[5-(1-cyanocyclopropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 73095812
1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile;methanimidamide
CID 142250529
(5S)-3-[4-(1-isocyanocyclopropyl)phenyl]-5-[(1,3-thiazol-2-ylamino)methyl]-1,3-oxazolidin-2-one
CID 59120535
1-[[3-[4-(1-cyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carbonitrile
CID 23441535
1-[4-[5-[(5-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441531
(5S)-3-[4-(1-isocyanocyclopropyl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 59120560

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile (CID 20616594) is 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(N3C[C@H](CNc4ccccn4)OC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is PPRDHPZBTYAPJU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-13-19(8-9-19)14-4-6-15(7-5-14)23-12-16(25-18(23)24)11-22-17-3-1-2-10-21-17/h1-7,10,16H,8-9,11-12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile?
1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-2-oxo-5-[(pyridin-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 20616594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).