(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

C26H28N4O5 — CID 134494470

IUPAC(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2onc(C3CCN(C(=O)c4ccc([C@@]5(C(C)C)NC(=O)NC5=O)cc4)CC3)c2c1
InChIInChI=1S/C26H28N4O5/c1-15(2)26(24(32)27-25(33)28-26)18-6-4-17(5-7-18)23(31)30-12-10-16(11-13-30)22-20-14-19(34-3)8-9-21(20)35-29-22/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,32,33)/t26-/m1/s1
InChIKeyBAZCYJOXGYPGOQ-AREMUKBSSA-N
MW476.53 g/mol
LogP3.55
Rot. Bonds5

About (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134494470) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134494470
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2onc(C3CCN(C(=O)c4ccc([C@@]5(C(C)C)NC(=O)NC5=O)cc4)CC3)c2c1
InChIInChI=1S/C26H28N4O5/c1-15(2)26(24(32)27-25(33)28-26)18-6-4-17(5-7-18)23(31)30-12-10-16(11-13-30)22-20-14-19(34-3)8-9-21(20)35-29-22/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,32,33)/t26-/m1/s1
InChIKeyBAZCYJOXGYPGOQ-AREMUKBSSA-N
XLogP3.55
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494835
(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494258
(5R)-5-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494747
5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495188
(5R)-5-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495001
5-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494930
5-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495096
(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
(5R)-5-[4-[4-(5,7-dimethylindazol-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494344
(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494410
5-[4-(4-naphthalen-2-ylpiperazine-1-carbonyl)phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494502
[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 127042412

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134494470) is (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is COc1ccc2onc(C3CCN(C(=O)c4ccc([C@@]5(C(C)C)NC(=O)NC5=O)cc4)CC3)c2c1.
What is the InChIKey of (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is BAZCYJOXGYPGOQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-15(2)26(24(32)27-25(33)28-26)18-6-4-17(5-7-18)23(31)30-12-10-16(11-13-30)22-20-14-19(34-3)8-9-21(20)35-29-22/h4-9,14-16H,10-13H2,1-3H3,(H2,27,28,32,33)/t26-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 476.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134494470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).