N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide

C16H19N3O2 — CID 60865852

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H19N3O2/c20-15(9-17-8-10-1-2-10)18-12-5-6-14-13(7-12)19-16(21-14)11-3-4-11/h5-7,10-11,17H,1-4,8-9H2,(H,18,20)
InChIKeyVFOCEONDBZPHNB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.64
Rot. Bonds6

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 60865852) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
PubChem CID60865852
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H19N3O2/c20-15(9-17-8-10-1-2-10)18-12-5-6-14-13(7-12)19-16(21-14)11-3-4-11/h5-7,10-11,17H,1-4,8-9H2,(H,18,20)
InChIKeyVFOCEONDBZPHNB-UHFFFAOYSA-N
XLogP2.64
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide (CID 60865852) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is VFOCEONDBZPHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(9-17-8-10-1-2-10)18-12-5-6-14-13(7-12)19-16(21-14)11-3-4-11/h5-7,10-11,17H,1-4,8-9H2,(H,18,20).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 60865852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).