N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide

C13H21N3O2 — CID 106417572

IUPACN-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide
SMILESO=C(CNCc1ccno1)NC1CCCCCC1
InChIInChI=1S/C13H21N3O2/c17-13(10-14-9-12-7-8-15-18-12)16-11-5-3-1-2-4-6-11/h7-8,11,14H,1-6,9-10H2,(H,16,17)
InChIKeyWHJPQEDHJLEJFV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds5

About N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide

N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide (PubChem CID 106417572) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide
PubChem CID106417572
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide
SMILESO=C(CNCc1ccno1)NC1CCCCCC1
InChIInChI=1S/C13H21N3O2/c17-13(10-14-9-12-7-8-15-18-12)16-11-5-3-1-2-4-6-11/h7-8,11,14H,1-6,9-10H2,(H,16,17)
InChIKeyWHJPQEDHJLEJFV-UHFFFAOYSA-N
XLogP1.60
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415590
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-cycloheptyl-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177432
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
CID 62575274
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide?
The IUPAC name of N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide (CID 106417572) is N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide is O=C(CNCc1ccno1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide?
The InChIKey is WHJPQEDHJLEJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-13(10-14-9-12-7-8-15-18-12)16-11-5-3-1-2-4-6-11/h7-8,11,14H,1-6,9-10H2,(H,16,17).
What are the key properties of N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide?
N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1,2-oxazol-5-ylmethylamino)acetamide is sourced from PubChem (CID 106417572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).