N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide

C16H27N3O4 — CID 42771642

IUPACN-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCOC)CC(=O)Nc1ccon1
InChIInChI=1S/C16H27N3O4/c1-3-4-5-6-8-16(21)19(10-7-11-22-2)13-15(20)17-14-9-12-23-18-14/h9,12H,3-8,10-11,13H2,1-2H3,(H,17,18,20)
InChIKeyMXLUYMIWFMBPKC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.45
Rot. Bonds12

About N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide

N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide (PubChem CID 42771642) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
PubChem CID42771642
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC NameN-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCOC)CC(=O)Nc1ccon1
InChIInChI=1S/C16H27N3O4/c1-3-4-5-6-8-16(21)19(10-7-11-22-2)13-15(20)17-14-9-12-23-18-14/h9,12H,3-8,10-11,13H2,1-2H3,(H,17,18,20)
InChIKeyMXLUYMIWFMBPKC-UHFFFAOYSA-N
XLogP2.45
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 4017704
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 7296221

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
The IUPAC name of N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide (CID 42771642) is N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide is CCCCCCC(=O)N(CCCOC)CC(=O)Nc1ccon1.
What is the InChIKey of N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
The InChIKey is MXLUYMIWFMBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-3-4-5-6-8-16(21)19(10-7-11-22-2)13-15(20)17-14-9-12-23-18-14/h9,12H,3-8,10-11,13H2,1-2H3,(H,17,18,20).
What are the key properties of N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide has a molecular weight of 325.41 g/mol, XLogP of 2.45, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide is sourced from PubChem (CID 42771642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).