(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C25H21N5O6 — CID 46199198

IUPAC(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(-c5c(C)noc5C)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H21N5O6/c1-12-21(13(2)36-29-12)18-8-19-15(9-26-18)6-20(35-19)25(23(32)27-24(33)28-25)11-30-10-14-4-5-16(34-3)7-17(14)22(30)31/h4-9H,10-11H2,1-3H3,(H2,27,28,32,33)/t25-/m0/s1
InChIKeySDQPRWBNRWKHOA-VWLOTQADSA-N
MW487.47 g/mol
LogP2.80
Rot. Bonds5

About (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46199198) has the molecular formula C25H21N5O6 and a molecular weight of 487.47 g/mol. Its IUPAC name is (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46199198
Molecular FormulaC25H21N5O6
Molecular Weight487.47 g/mol
Exact Mass487.15
IUPAC Name(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(-c5c(C)noc5C)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H21N5O6/c1-12-21(13(2)36-29-12)18-8-19-15(9-26-18)6-20(35-19)25(23(32)27-24(33)28-25)11-30-10-14-4-5-16(34-3)7-17(14)22(30)31/h4-9H,10-11H2,1-3H3,(H2,27,28,32,33)/t25-/m0/s1
InChIKeySDQPRWBNRWKHOA-VWLOTQADSA-N
XLogP2.80
TPSA139.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46199198) is (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(-c5c(C)noc5C)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is SDQPRWBNRWKHOA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21N5O6/c1-12-21(13(2)36-29-12)18-8-19-15(9-26-18)6-20(35-19)25(23(32)27-24(33)28-25)11-30-10-14-4-5-16(34-3)7-17(14)22(30)31/h4-9H,10-11H2,1-3H3,(H2,27,28,32,33)/t25-/m0/s1.
What are the key properties of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 487.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,2-c]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46199198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).