[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate

C24H27N3O3 — CID 68868786

IUPAC[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate
SMILESCc1oc(-c2ccc(-c3ccc(OC(N)=O)cc3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C24H27N3O3/c1-16-4-3-14-27(16)15-13-22-17(2)29-23(26-22)20-7-5-18(6-8-20)19-9-11-21(12-10-19)30-24(25)28/h5-12,16H,3-4,13-15H2,1-2H3,(H2,25,28)/t16-/m1/s1
InChIKeyCLLQJKMHLHNEKQ-MRXNPFEDSA-N
MW405.50 g/mol
LogP4.80
Rot. Bonds6

About [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate

[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate (PubChem CID 68868786) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate
PubChem CID68868786
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate
SMILESCc1oc(-c2ccc(-c3ccc(OC(N)=O)cc3)cc2)nc1CCN1CCC[C@H]1C
InChIInChI=1S/C24H27N3O3/c1-16-4-3-14-27(16)15-13-22-17(2)29-23(26-22)20-7-5-18(6-8-20)19-9-11-21(12-10-19)30-24(25)28/h5-12,16H,3-4,13-15H2,1-2H3,(H2,25,28)/t16-/m1/s1
InChIKeyCLLQJKMHLHNEKQ-MRXNPFEDSA-N
XLogP4.80
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl]methanol
CID 58951382
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
CID 58951438
2-(4-butoxyphenyl)-5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-oxazole
CID 58951495
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyrimidin-5-ylphenyl)-1,3-oxazole
CID 58951472
2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
CID 91188409
5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
CID 143186014
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]-1,3-oxazole
CID 58951384
5-methyl-4-[3-(2-methylpyrrolidin-1-yl)propyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 68700806
2-[4-[4-(3-fluoropropylsulfonyl)phenyl]phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole;hydrochloride
CID 68703401
5-methyl-4-[3-(2-methylpyrrolidin-1-yl)propyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole;hydrochloride
CID 68701715
5-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-[4-(4-methylsulfonylphenyl)phenyl]-1,3-oxazole
CID 58951492
[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
CID 11858136

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate?
The IUPAC name of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate (CID 68868786) is [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate.
What is the SMILES notation for [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate?
The canonical SMILES for [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate is Cc1oc(-c2ccc(-c3ccc(OC(N)=O)cc3)cc2)nc1CCN1CCC[C@H]1C.
What is the InChIKey of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate?
The InChIKey is CLLQJKMHLHNEKQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-4-3-14-27(16)15-13-22-17(2)29-23(26-22)20-7-5-18(6-8-20)19-9-11-21(12-10-19)30-24(25)28/h5-12,16H,3-4,13-15H2,1-2H3,(H2,25,28)/t16-/m1/s1.
What are the key properties of [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate?
[4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate has a molecular weight of 405.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazol-2-yl]phenyl]phenyl] carbamate is sourced from PubChem (CID 68868786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).