(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C24H23FN4O4 — CID 134495094

IUPAC(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc2nc(C3CCN(C(=O)c4ccc([C@@]5(C)NC(=O)NC5=O)cc4F)CC3)oc2c1
InChIInChI=1S/C24H23FN4O4/c1-13-3-6-18-19(11-13)33-20(26-18)14-7-9-29(10-8-14)21(30)16-5-4-15(12-17(16)25)24(2)22(31)27-23(32)28-24/h3-6,11-12,14H,7-10H2,1-2H3,(H2,27,28,31,32)/t24-/m1/s1
InChIKeyNLNVXKULPWJKFP-XMMPIXPASA-N
MW450.47 g/mol
LogP3.35
Rot. Bonds3

About (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134495094) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID134495094
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc2nc(C3CCN(C(=O)c4ccc([C@@]5(C)NC(=O)NC5=O)cc4F)CC3)oc2c1
InChIInChI=1S/C24H23FN4O4/c1-13-3-6-18-19(11-13)33-20(26-18)14-7-9-29(10-8-14)21(30)16-5-4-15(12-17(16)25)24(2)22(31)27-23(32)28-24/h3-6,11-12,14H,7-10H2,1-2H3,(H2,27,28,31,32)/t24-/m1/s1
InChIKeyNLNVXKULPWJKFP-XMMPIXPASA-N
XLogP3.35
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 146129813
(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494842
5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494385
4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833714
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 17435149
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 55866368
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
(2-cyclopropyl-1,3-benzoxazol-6-yl)-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42380756
(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154834533
5-methyl-5-[3-methyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494886
5-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 122153512

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 134495094) is (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is Cc1ccc2nc(C3CCN(C(=O)c4ccc([C@@]5(C)NC(=O)NC5=O)cc4F)CC3)oc2c1.
What is the InChIKey of (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NLNVXKULPWJKFP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-13-3-6-18-19(11-13)33-20(26-18)14-7-9-29(10-8-14)21(30)16-5-4-15(12-17(16)25)24(2)22(31)27-23(32)28-24/h3-6,11-12,14H,7-10H2,1-2H3,(H2,27,28,31,32)/t24-/m1/s1.
What are the key properties of (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 450.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-fluoro-4-[4-(6-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134495094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).