(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione

C17H12N4O3 — CID 156587752

IUPAC(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Nc3nc4ccccc4o3)c2)N1
InChIInChI=1S/C17H12N4O3/c22-15-13(19-16(23)21-15)9-10-4-3-5-11(8-10)18-17-20-12-6-1-2-7-14(12)24-17/h1-9H,(H,18,20)(H2,19,21,22,23)/b13-9-
InChIKeyJCWIKZWFZVZRTM-LCYFTJDESA-N
MW320.31 g/mol
LogP2.75
Rot. Bonds3

About (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione

(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 156587752) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID156587752
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Nc3nc4ccccc4o3)c2)N1
InChIInChI=1S/C17H12N4O3/c22-15-13(19-16(23)21-15)9-10-4-3-5-11(8-10)18-17-20-12-6-1-2-7-14(12)24-17/h1-9H,(H,18,20)(H2,19,21,22,23)/b13-9-
InChIKeyJCWIKZWFZVZRTM-LCYFTJDESA-N
XLogP2.75
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-benzoxazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 166667314
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-amine
CID 12898686
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
N-(1,3-benzoxazol-2-ylamino)formamide
CID 15893148
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione
CID 4298348
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
N-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]-1,3-benzoxazol-2-amine
CID 97017967

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione (CID 156587752) is (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc(Nc3nc4ccccc4o3)c2)N1.
What is the InChIKey of (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is JCWIKZWFZVZRTM-LCYFTJDESA-N. The full InChI is InChI=1S/C17H12N4O3/c22-15-13(19-16(23)21-15)9-10-4-3-5-11(8-10)18-17-20-12-6-1-2-7-14(12)24-17/h1-9H,(H,18,20)(H2,19,21,22,23)/b13-9-.
What are the key properties of (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 320.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 156587752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).