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

C20H22N4O4 — CID 90354113

IUPACN-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCC4CC4)nc3)nc2cn1
InChIInChI=1S/C20H22N4O4/c1-12(23-13(2)25)10-26-19-7-17-16(9-22-19)24-20(28-17)15-5-6-18(21-8-15)27-11-14-3-4-14/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKeyWUSVZNZORPDPGK-LBPRGKRZSA-N
MW382.42 g/mol
LogP2.98
Rot. Bonds8

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

N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide (PubChem CID 90354113) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
PubChem CID90354113
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCC4CC4)nc3)nc2cn1
InChIInChI=1S/C20H22N4O4/c1-12(23-13(2)25)10-26-19-7-17-16(9-22-19)24-20(28-17)15-5-6-18(21-8-15)27-11-14-3-4-14/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKeyWUSVZNZORPDPGK-LBPRGKRZSA-N
XLogP2.98
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.98
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-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide (CID 90354113) is N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-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-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(OCC4CC4)nc3)nc2cn1.
What is the InChIKey of N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
The InChIKey is WUSVZNZORPDPGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(23-13(2)25)10-26-19-7-17-16(9-22-19)24-20(28-17)15-5-6-18(21-8-15)27-11-14-3-4-14/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,23,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.98, 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-[6-(cyclopropylmethoxy)-3-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 90354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).