N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide

C21H23N3O4 — CID 67777812

IUPACN-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccc3o2)nc1
InChIInChI=1S/C21H23N3O4/c1-13(23-14(2)25)11-26-17-5-7-18(22-10-17)21-24-19-9-16(6-8-20(19)28-21)27-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyFDTUZXVPNFVPRY-ZDUSSCGKSA-N
MW381.43 g/mol
LogP3.58
Rot. Bonds8

About N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide (PubChem CID 67777812) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
PubChem CID67777812
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccc3o2)nc1
InChIInChI=1S/C21H23N3O4/c1-13(23-14(2)25)11-26-17-5-7-18(22-10-17)21-24-19-9-16(6-8-20(19)28-21)27-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyFDTUZXVPNFVPRY-ZDUSSCGKSA-N
XLogP3.58
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide (CID 67777812) is N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1ccc(-c2nc3cc(OCC4CC4)ccc3o2)nc1.
What is the InChIKey of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
The InChIKey is FDTUZXVPNFVPRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(23-14(2)25)11-26-17-5-7-18(22-10-17)21-24-19-9-16(6-8-20(19)28-21)27-12-15-3-4-15/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,23,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 67777812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).