2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide

C22H32N4O2 — CID 58548687

IUPAC2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1
InChIInChI=1S/C22H32N4O2/c1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeySTENGRHBDVFJNL-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.56
Rot. Bonds6

About 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide

2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide (PubChem CID 58548687) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
PubChem CID58548687
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1
InChIInChI=1S/C22H32N4O2/c1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeySTENGRHBDVFJNL-UHFFFAOYSA-N
XLogP3.56
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The IUPAC name of 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide (CID 58548687) is 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide is Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.
What is the InChIKey of 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The InChIKey is STENGRHBDVFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 58548687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).