4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole

C18H22N6O — CID 110129306

IUPAC4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(CC2CCN(Cc3cnc[nH]3)C2)ncn1
InChIInChI=1S/C18H22N6O/c1-12-18(13(2)25-23-12)17-6-15(21-11-22-17)5-14-3-4-24(8-14)9-16-7-19-10-20-16/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyIXBVPMYUJVTCEN-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.54
Rot. Bonds5

About 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole

4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110129306) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID110129306
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(CC2CCN(Cc3cnc[nH]3)C2)ncn1
InChIInChI=1S/C18H22N6O/c1-12-18(13(2)25-23-12)17-6-15(21-11-22-17)5-14-3-4-24(8-14)9-16-7-19-10-20-16/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyIXBVPMYUJVTCEN-UHFFFAOYSA-N
XLogP2.54
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
1-[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 145982173
tert-butyl (3S)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 145988352
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]pyrimidin-2-amine
CID 145988928
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 145993761
[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 162645914
[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 162652737
[(3R)-3-[[4-[5-(diethylaminomethyl)-3-phenyl-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
CID 162657846
[(3R)-3-[[4-[3-(3-chlorophenyl)-5-(diethylaminomethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 162674777
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-c]pyrimidin-3-amine
CID 117841268

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole (CID 110129306) is 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(CC2CCN(Cc3cnc[nH]3)C2)ncn1.
What is the InChIKey of 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is IXBVPMYUJVTCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-18(13(2)25-23-12)17-6-15(21-11-22-17)5-14-3-4-24(8-14)9-16-7-19-10-20-16/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole?
4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 338.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110129306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).