N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide

C14H18N4O4 — CID 118776638

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide
SMILESCN(Cc1cc(C2CC2)on1)C(=O)C1CCC(=O)NC(=O)N1
InChIInChI=1S/C14H18N4O4/c1-18(7-9-6-11(22-17-9)8-2-3-8)13(20)10-4-5-12(19)16-14(21)15-10/h6,8,10H,2-5,7H2,1H3,(H2,15,16,19,21)
InChIKeyYKJZAWQFXBLKKU-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.50
Rot. Bonds4

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide (PubChem CID 118776638) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide
PubChem CID118776638
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide
SMILESCN(Cc1cc(C2CC2)on1)C(=O)C1CCC(=O)NC(=O)N1
InChIInChI=1S/C14H18N4O4/c1-18(7-9-6-11(22-17-9)8-2-3-8)13(20)10-4-5-12(19)16-14(21)15-10/h6,8,10H,2-5,7H2,1H3,(H2,15,16,19,21)
InChIKeyYKJZAWQFXBLKKU-UHFFFAOYSA-N
XLogP0.50
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide (CID 118776638) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide is CN(Cc1cc(C2CC2)on1)C(=O)C1CCC(=O)NC(=O)N1.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide?
The InChIKey is YKJZAWQFXBLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-18(7-9-6-11(22-17-9)8-2-3-8)13(20)10-4-5-12(19)16-14(21)15-10/h6,8,10H,2-5,7H2,1H3,(H2,15,16,19,21).
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2,7-dioxo-1,3-diazepane-4-carboxamide is sourced from PubChem (CID 118776638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).