N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C15H18N4O2 — CID 74249393

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCN1CC(C(=O)NCCc2cnc[nH]2)Oc2ccccc21
InChIInChI=1S/C15H18N4O2/c1-19-9-14(21-13-5-3-2-4-12(13)19)15(20)17-7-6-11-8-16-10-18-11/h2-5,8,10,14H,6-7,9H2,1H3,(H,16,18)(H,17,20)
InChIKeyLSBPTPMWCNYMNS-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.97
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 74249393) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID74249393
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCN1CC(C(=O)NCCc2cnc[nH]2)Oc2ccccc21
InChIInChI=1S/C15H18N4O2/c1-19-9-14(21-13-5-3-2-4-12(13)19)15(20)17-7-6-11-8-16-10-18-11/h2-5,8,10,14H,6-7,9H2,1H3,(H,16,18)(H,17,20)
InChIKeyLSBPTPMWCNYMNS-UHFFFAOYSA-N
XLogP0.97
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(pyridin-3-ylamino)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74250922
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 10546174
N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 163392818
(2S)-N-(2-cyclohexylsulfanylethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125177462
(2R)-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125170393
1-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1-methylurea
CID 119067574
1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954620
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 77091092
N-[2-(1H-imidazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 23378535
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77061490
(2R)-4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9109044
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 74249393) is N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CN1CC(C(=O)NCCc2cnc[nH]2)Oc2ccccc21.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is LSBPTPMWCNYMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-9-14(21-13-5-3-2-4-12(13)19)15(20)17-7-6-11-8-16-10-18-11/h2-5,8,10,14H,6-7,9H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 74249393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).