5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide

C17H16ClN5O4 — CID 175733550

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C17H16ClN5O4/c18-10-1-3-13(19-5-10)15-8-22-17(27-15)23-11-2-4-14(20-6-11)16(26)21-7-12(25)9-24/h1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23)/t12-/m1/s1
InChIKeyRQABUIPIQPAWBN-GFCCVEGCSA-N
MW389.80 g/mol
LogP1.61
Rot. Bonds7

About 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide

5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide (PubChem CID 175733550) has the molecular formula C17H16ClN5O4 and a molecular weight of 389.80 g/mol. Its IUPAC name is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
PubChem CID175733550
Molecular FormulaC17H16ClN5O4
Molecular Weight389.80 g/mol
Exact Mass389.09
IUPAC Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C17H16ClN5O4/c18-10-1-3-13(19-5-10)15-8-22-17(27-15)23-11-2-4-14(20-6-11)16(26)21-7-12(25)9-24/h1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23)/t12-/m1/s1
InChIKeyRQABUIPIQPAWBN-GFCCVEGCSA-N
XLogP1.61
TPSA133.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide (CID 175733550) is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide is O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
The InChIKey is RQABUIPIQPAWBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClN5O4/c18-10-1-3-13(19-5-10)15-8-22-17(27-15)23-11-2-4-14(20-6-11)16(26)21-7-12(25)9-24/h1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23)/t12-/m1/s1.
What are the key properties of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide?
5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide has a molecular weight of 389.80 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 175733550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).