(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione

C19H18N4O3 — CID 7097007

IUPAC(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(c2ccc3oc(-c4ccncc4)nc3c2)C1=O
InChIInChI=1S/C19H18N4O3/c1-11(2)9-15-18(24)23(19(25)22-15)13-3-4-16-14(10-13)21-17(26-16)12-5-7-20-8-6-12/h3-8,10-11,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyHXMFMNMVHJQEQY-HNNXBMFYSA-N
MW350.38 g/mol
LogP3.36
Rot. Bonds4

About (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione

(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione (PubChem CID 7097007) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione
PubChem CID7097007
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(c2ccc3oc(-c4ccncc4)nc3c2)C1=O
InChIInChI=1S/C19H18N4O3/c1-11(2)9-15-18(24)23(19(25)22-15)13-3-4-16-14(10-13)21-17(26-16)12-5-7-20-8-6-12/h3-8,10-11,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyHXMFMNMVHJQEQY-HNNXBMFYSA-N
XLogP3.36
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione (CID 7097007) is (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(c2ccc3oc(-c4ccncc4)nc3c2)C1=O.
What is the InChIKey of (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione?
The InChIKey is HXMFMNMVHJQEQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11(2)9-15-18(24)23(19(25)22-15)13-3-4-16-14(10-13)21-17(26-16)12-5-7-20-8-6-12/h3-8,10-11,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione?
(5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylpropyl)-3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 7097007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).