N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide

C21H24N4O4 — CID 90354240

IUPACN-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc2oc(-c3ncc(OCC4CC4)cc3C)nc2cn1
InChIInChI=1S/C21H24N4O4/c1-12-6-16(27-11-15-4-5-15)8-23-20(12)21-25-17-9-22-19(7-18(17)29-21)28-10-13(2)24-14(3)26/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,24,26)/t13-/m0/s1
InChIKeyWHYCDAPNOJRDOD-ZDUSSCGKSA-N
MW396.45 g/mol
LogP3.29
Rot. Bonds8

About N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide (PubChem CID 90354240) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
PubChem CID90354240
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc2oc(-c3ncc(OCC4CC4)cc3C)nc2cn1
InChIInChI=1S/C21H24N4O4/c1-12-6-16(27-11-15-4-5-15)8-23-20(12)21-25-17-9-22-19(7-18(17)29-21)28-10-13(2)24-14(3)26/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,24,26)/t13-/m0/s1
InChIKeyWHYCDAPNOJRDOD-ZDUSSCGKSA-N
XLogP3.29
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide (CID 90354240) is N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cc2oc(-c3ncc(OCC4CC4)cc3C)nc2cn1.
What is the InChIKey of N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The InChIKey is WHYCDAPNOJRDOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-12-6-16(27-11-15-4-5-15)8-23-20(12)21-25-17-9-22-19(7-18(17)29-21)28-10-13(2)24-14(3)26/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,24,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 90354240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).