N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide

C14H22N4O4 — CID 22101602

IUPACN-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCN(CCCCN(C)C(=O)C1=NCCO1)C(=O)C1=NCCO1
InChIInChI=1S/C14H22N4O4/c1-17(13(19)11-15-5-9-21-11)7-3-4-8-18(2)14(20)12-16-6-10-22-12/h3-10H2,1-2H3
InChIKeyMVYBPDDRSOKGDT-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.46
Rot. Bonds7

About N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide

N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101602) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101602
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCN(CCCCN(C)C(=O)C1=NCCO1)C(=O)C1=NCCO1
InChIInChI=1S/C14H22N4O4/c1-17(13(19)11-15-5-9-21-11)7-3-4-8-18(2)14(20)12-16-6-10-22-12/h3-10H2,1-2H3
InChIKeyMVYBPDDRSOKGDT-UHFFFAOYSA-N
XLogP-0.46
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523824
N-[2-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]ethyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101603
N,N'-(Butane-1,4-diyl)di(4,5-dihydro-1,3-oxazole-2-carboxamide)
CID 22101605
N,N-dibutyl-2-[2-(dimethylamino)ethoxy]acetamide
CID 175987148
N-butyl-2-[2-(dimethylamino)ethoxy]-N-methylacetamide
CID 175987218
N-butyl-2-[2-(diethylamino)ethoxy]-N-methylacetamide
CID 175987224
N-butyl-2-[2-[ethyl(methyl)amino]ethoxy]-N-methylacetamide
CID 175987226
2-ethoxy-N-[4-[(2-ethoxyacetyl)-methylamino]butyl]-N-methylacetamide
CID 75372246
N-butyl-2-[2-[butyl(methyl)amino]-2-oxoethoxy]-N-methylacetamide
CID 101802215

Frequently Asked Questions

What is the IUPAC name of N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101602) is N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide is CN(CCCCN(C)C(=O)C1=NCCO1)C(=O)C1=NCCO1.
What is the InChIKey of N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is MVYBPDDRSOKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-17(13(19)11-15-5-9-21-11)7-3-4-8-18(2)14(20)12-16-6-10-22-12/h3-10H2,1-2H3.
What are the key properties of N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).