N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

C23H29N3O3 — CID 24740753

IUPACN-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC
InChIInChI=1S/C23H29N3O3/c1-3-14-28-22-15-17(8-9-21(22)27-2)16-26-12-10-18(11-13-26)24-23-25-19-6-4-5-7-20(19)29-23/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,25)
InChIKeyAQMDQWAARXFGOY-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.70
Rot. Bonds8

About N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 24740753) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID24740753
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC
InChIInChI=1S/C23H29N3O3/c1-3-14-28-22-15-17(8-9-21(22)27-2)16-26-12-10-18(11-13-26)24-23-25-19-6-4-5-7-20(19)29-23/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,25)
InChIKeyAQMDQWAARXFGOY-UHFFFAOYSA-N
XLogP4.70
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 24740753) is N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is CCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC.
What is the InChIKey of N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is AQMDQWAARXFGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-14-28-22-15-17(8-9-21(22)27-2)16-26-12-10-18(11-13-26)24-23-25-19-6-4-5-7-20(19)29-23/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,25).
What are the key properties of N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 395.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24740753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).