2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile

C22H21N5O2 — CID 169180419

IUPAC2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3ncco3)cc2)C1
InChIInChI=1S/C22H21N5O2/c23-11-18-12-25-20(16-1-2-16)26-22(18)29-14-15-7-9-27(13-15)19-5-3-17(4-6-19)21-24-8-10-28-21/h3-6,8,10,12,15-16H,1-2,7,9,13-14H2/t15-/m0/s1
InChIKeyOWTUIEUNAFLIGJ-HNNXBMFYSA-N
MW387.44 g/mol
LogP3.79
Rot. Bonds6

About 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile

2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile (PubChem CID 169180419) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile
PubChem CID169180419
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3ncco3)cc2)C1
InChIInChI=1S/C22H21N5O2/c23-11-18-12-25-20(16-1-2-16)26-22(18)29-14-15-7-9-27(13-15)19-5-3-17(4-6-19)21-24-8-10-28-21/h3-6,8,10,12,15-16H,1-2,7,9,13-14H2/t15-/m0/s1
InChIKeyOWTUIEUNAFLIGJ-HNNXBMFYSA-N
XLogP3.79
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-[[(3S)-1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile
CID 169180400
2-cyclopropyl-4-[[(3S)-1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile
CID 169180429
2-cyclopropyl-4-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 166299923
2-[(1-acetylpiperidin-4-yl)methoxy]-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile
CID 89434721
5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798571
4-[3-[(2-cyclopropylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 172902660
2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133299085
2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142211
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133475245
2-chloro-4-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]benzonitrile
CID 71996072
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile?
The IUPAC name of 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile (CID 169180419) is 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile is N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3ncco3)cc2)C1.
What is the InChIKey of 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile?
The InChIKey is OWTUIEUNAFLIGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-11-18-12-25-20(16-1-2-16)26-22(18)29-14-15-7-9-27(13-15)19-5-3-17(4-6-19)21-24-8-10-28-21/h3-6,8,10,12,15-16H,1-2,7,9,13-14H2/t15-/m0/s1.
What are the key properties of 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile?
2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile has a molecular weight of 387.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[(3S)-1-[4-(1,3-oxazol-2-yl)phenyl]pyrrolidin-3-yl]methoxy]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169180419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).