(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide

C15H17N3O4 — CID 100713681

IUPAC(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)CCNC2=O)c1)[C@@H]1CCCO1
InChIInChI=1S/C15H17N3O4/c19-13-6-7-16-15(21)18(13)11-4-1-3-10(9-11)17-14(20)12-5-2-8-22-12/h1,3-4,9,12H,2,5-8H2,(H,16,21)(H,17,20)/t12-/m0/s1
InChIKeyGYHNVSIKHSVEBE-LBPRGKRZSA-N
MW303.32 g/mol
LogP1.25
Rot. Bonds3

About (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide

(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide (PubChem CID 100713681) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide
PubChem CID100713681
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)CCNC2=O)c1)[C@@H]1CCCO1
InChIInChI=1S/C15H17N3O4/c19-13-6-7-16-15(21)18(13)11-4-1-3-10(9-11)17-14(20)12-5-2-8-22-12/h1,3-4,9,12H,2,5-8H2,(H,16,21)(H,17,20)/t12-/m0/s1
InChIKeyGYHNVSIKHSVEBE-LBPRGKRZSA-N
XLogP1.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-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

N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-2-carboxamide
CID 119724536
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide (CID 100713681) is (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(N2C(=O)CCNC2=O)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is GYHNVSIKHSVEBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-13-6-7-16-15(21)18(13)11-4-1-3-10(9-11)17-14(20)12-5-2-8-22-12/h1,3-4,9,12H,2,5-8H2,(H,16,21)(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,6-dioxo-1,3-diazinan-1-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 100713681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).