N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C15H25N3O2 — CID 3433625

IUPACN-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C15H25N3O2/c1-2-3-4-5-6-9-17-14(19)13-11-20-15(18-13)12-8-7-10-16-12/h11-12,16H,2-10H2,1H3,(H,17,19)
InChIKeySXUPGPVRKSMEBA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds8

About N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3433625) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3433625
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C15H25N3O2/c1-2-3-4-5-6-9-17-14(19)13-11-20-15(18-13)12-8-7-10-16-12/h11-12,16H,2-10H2,1H3,(H,17,19)
InChIKeySXUPGPVRKSMEBA-UHFFFAOYSA-N
XLogP2.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 4994793
N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3665787
N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3439628
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3674031
N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970779
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
ethyl 5-(diaminomethylideneamino)-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 4987379
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
CID 167929898
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3433625) is N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is CCCCCCCNC(=O)c1coc(C2CCCN2)n1.
What is the InChIKey of N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is SXUPGPVRKSMEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-3-4-5-6-9-17-14(19)13-11-20-15(18-13)12-8-7-10-16-12/h11-12,16H,2-10H2,1H3,(H,17,19).
What are the key properties of N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3433625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).