(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate

C19H23N5O4 — CID 118413070

IUPAC(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
SMILESCCc1nc(OC)cc(OC(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIInChI=1S/C19H23N5O4/c1-3-15-23-16(26-2)10-17(24-15)28-19(25)22-13-7-4-12(5-8-13)6-9-14-11-27-18(20)21-14/h4-5,7-8,10,14H,3,6,9,11H2,1-2H3,(H2,20,21)(H,22,25)/t14-/m0/s1
InChIKeyHANAAWLPSULWPX-AWEZNQCLSA-N
MW385.42 g/mol
LogP2.30
Rot. Bonds7

About (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate

(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate (PubChem CID 118413070) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate.

Molecular Properties

Compound Name(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
PubChem CID118413070
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
SMILESCCc1nc(OC)cc(OC(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1
InChIInChI=1S/C19H23N5O4/c1-3-15-23-16(26-2)10-17(24-15)28-19(25)22-13-7-4-12(5-8-13)6-9-14-11-27-18(20)21-14/h4-5,7-8,10,14H,3,6,9,11H2,1-2H3,(H2,20,21)(H,22,25)/t14-/m0/s1
InChIKeyHANAAWLPSULWPX-AWEZNQCLSA-N
XLogP2.30
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
The IUPAC name of (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate (CID 118413070) is (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate.
What is the SMILES notation for (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
The canonical SMILES for (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate is CCc1nc(OC)cc(OC(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1.
What is the InChIKey of (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
The InChIKey is HANAAWLPSULWPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-3-15-23-16(26-2)10-17(24-15)28-19(25)22-13-7-4-12(5-8-13)6-9-14-11-27-18(20)21-14/h4-5,7-8,10,14H,3,6,9,11H2,1-2H3,(H2,20,21)(H,22,25)/t14-/m0/s1.
What are the key properties of (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate?
(2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-methoxypyrimidin-4-yl) N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 118413070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).